Zappu/PubChem-actIn · Datasets at Hugging Face

cmpdname stringlengths 2 900 ⌀	mf stringlengths 1 63
1-[2-Nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enylpiperidine	C15H17F3N2O2
1-[8-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine	C18H20ClNO
4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxy-1-[4-(methylamino)butyl]piperidin-4-yl]benzamide	C19H31ClN4O3
[2-(Methoxymethylamino)-2-oxoethyl] 2,2-dimethylbutanoate	C10H19NO4
3-[4-(difluoromethoxy)-3-ethoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid	C21H19F2N3O4
3-Methyl-3-[5-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyridin-2-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one	C22H19F3N4O2
N-(2-amino-2-methylpropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide;hydrochloride	C15H30ClN3O2
N-[2-[(propanoylamino)carbamoyl]-6-(trifluoromethyl)furo[2,3-b]pyridin-3-yl]propanamide	C15H15F3N4O4
9,10-Dicarbamoyl-7-methylperylene-3,4-dicarboxylic acid	C25H16N2O6
N-[2-[[(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-hydroxyoxan-3-yl]amino]-2-oxoethyl]-2-methylbenzamide	C28H47N7O11
4-(Cyclopropanecarbonyl)-6-(3-fluorophenyl)-6,9-dimethylspiro[4,11,14-triazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),7,10-triene-12,1'-cyclopropane]-13-one	C27H28FN3O2
1-[(4-Nitrophenyl)methyl]-1H-benzimidazol-2-amine	C14H12N4O2
tert-butyl N-[[6-[2-chloro-3-(3-iodo-2H-indazol-7-yl)phenyl]-2-methoxypyridin-3-yl]methyl]-N-[(3-hydroxycyclobutyl)methyl]carbamate	C30H32ClIN4O4
3-benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one	C16H13ClN4O
Chloro-decyl-propoxyalumane	C13H28AlClO
Cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane	C36H39BN2Si
1-Bromo-3-[2-ethyl-6-(trifluoromethylsulfanyl)phenyl]propan-2-one	C12H12BrF3OS
(2R,3R,4R)-2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(3,4-difluorophenyl)-4-ethenyloxane	C23H20F8O2
2-[(4R,5R)-4,5-dimethoxy-3-pyrazin-2-ylimidazolidin-1-yl]pyrazine	C13H16N6O2
N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-1-methylimidazole-2-carboxamide	C32H33F8N7O3
(4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-[[[2-(dimethylamino)acetyl]amino]methyl]-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide	C28H37N5O8
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholin-4-ylpropanamide	C24H38N4O5
5-[[2-Butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid	C27H29N3O5
1,2,2,2-Tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid	C5HF11O4S
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide	C19H22F2N2O5S
1-[1-(3-Fluoropyridin-2-yl)pyrrolidin-3-yl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine	C20H27FN6O2S
3-[(3-Chloro-4-hydroxyphenyl)iminomethyl]-1,3-dihydroindol-2-one	C15H11ClN2O2
[4-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-triazol-3-yl]methanamine	C5H7F3N4S
Ethyl 1,5-diethyl-4-hydroxy-2-oxo-1,6-naphthyridine-3-carboxylate	C15H18N2O4
2-[(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)amino]propanoic acid	C8H14N4O2
3-amino-4-(7,8-difluoro-2-methylquinazolin-5-yl)-2-fluoro-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol	C21H17F6N3O2
(3-Aminopiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone;hydrochloride	C18H29ClN2O4
(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1-propyltriazol-4-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene	C26H25F2N7
5-(3-fluorophenyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide	C24H20F2N2O4S
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide	C21H15ClF4N2O3S
3-(4-Ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperidin-1-yl)quinolin-1-ium	C24H29N2O3S+
1-(5-Amino-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one	C16H23N3O
1-[(Z)-11-but-1-en-2-yloxyundec-8-enoyl]-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide	C31H40N4O6
Methyl 2-(2-bromo-4-fluoro-6-hydroxyphenyl)acetate	C9H8BrFO3
1-[4-[3-[(2S)-4-acetyl-2-ethylpiperazin-1-yl]-4-(5-chloro-6,7-dimethyl-1H-indazol-4-yl)-2,5-dimethyl-3H-pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one	C30H42ClN7O2
N,N-diethyl-3-nitrobenzamide	C11H14N2O3
3-Ethyl-6-[[2-(3-imidazol-1-ylpropylamino)phenyl]sulfonylamino]-2-methoxybenzoic acid	C22H26N4O5S
7-chloro-3-hydroxy-3-[(6-methylpyridin-2-yl)methyl]-1H-indol-2-one	C15H13ClN2O2
(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide	C20H19F3N2O2
1-(3,4-Difluorophenyl)-3-(4-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione	C23H15F2N3O4
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-hydroxy-3-(piperidine-1-carbonyl)benzamide	C32H37F2N3O4
4-(2,2-Difluorocyclopropyl)phenylfluoranesulfonate	C9H7F3O3S
2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one	C13H12N4OS3
(2S,3S)-3-[[6-(5-chlorothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-[1-(difluoromethyl)pyrazol-3-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-propan-2-ylsulfanylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid	C98H92ClF10N21O8S2
4-[(S)-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-(2-fluorophenyl)methyl]morpholine	C17H15BrFN3O2S
1-N,6-N-bis[3-(3,5-ditert-butylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine	C80H76N2
(2S)-2-[(1R,2S)-2-methylcyclohexyl]butanoic acid	C11H20O2
1-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpiperidin-4-amine	C11H22F2N2O
5-Methyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene	C31H22N2
2-[(1S,2R)-2-aminocyclopentyl]-N-(2,2-difluoroethyl)-N-propylacetamide	C12H22F2N2O
(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate	C64H54N8O12
N-[3-[4-amino-3-(4-cyclohexyloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutyl]but-2-ynamide	C25H28N6O2
[(2S)-2-hydroxy-3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypropyl] (E)-3-phenylprop-2-enoate	C47H50O8
1-[3-(Difluoromethoxy)phenyl]-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanol	C17H19F2NO2S
1-[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea	C19H20FN5O2
N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide	C16H15F3N2O
5-(5-fluoropentyl)-N-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide	C22H24F4N6O4S
N-[3-[4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-1,6-dimethyl-2-methylidene-3,4-dihydropyridine-5-carboxamide	C30H33F3N4O
Guanidine, 1-(2-benzothiazolyl)-2-benzoyl-	C15H12N4OS
Pyrrolidin-1-yl(quinolin-5-yl)methanone	C14H14N2O
CID 157716853	C42H82B8N2O8
1-(3,5-Diethylphenyl)-4-methylpentane-1,3-dione	C16H22O2
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one	C20H37N3O
N-(4,6-diamino-1,3,5-triazin-2-yl)-4-nitrobenzenesulfonamide	C9H9N7O4S
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide	C20H23FN4O
1-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-3-[(2-methoxy-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide	C20H27BrIN3O3
4-[3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride	C29H27BrCl3N5O4
2-[(4-Methoxyphenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine	C14H15N5O
Ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[[4-(hydroxymethyl)pyridin-3-yl]methyl]phenyl]propanoate	C23H29NO5
5-(4-Hydroxy-1,2-oxazol-3-yl)-2-methoxybenzenesulfonic acid	C10H9NO6S
N-[(4S,5S)-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-indazol-5-yl]naphthalene-2-carboxamide	C31H24FN3O2
Cyclobutanone;1-methylcyclobutan-1-ol	C9H16O2
2-Nitroheptadecanedioic acid	C17H31NO6
1-Fluoro-4-hydroxy-3-nitro-1-benzazepine-2,5-dione	C10H5FN2O5
Ethyl 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole-4-carboxylate	C15H12Cl2FNO3
2,6-dichloro-N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridin-4-yl]benzamide	C17H12Cl3N5O
1'-Ethylspiro[indoline-3,3'-pyrrolidin]-2-one	C13H16N2O
5-Chloro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepine	C15H13ClS
[(3R,3aR)-3-methyl-1,3,3a,4,9,9a-hexahydrobenzo[f]indazol-2-yl]-(3-methyl-4-nitrophenyl)methanone	C20H21N3O3
N-butan-2-yloxy-N-methylmethanamine	C6H15NO
(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;1-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]propan-2-one	C102H100N14O7S2
(6Z,8Z)-3-(azetidin-1-yl)-5-methyldeca-6,8-diene-1-thiol	C14H25NS
(1R,3R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole	C22H19NO3
N-ethyl-2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]acetamide	C12H16FNO3
(1S)-1-[[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]amino]octan-1-ol	C23H38N2O4
3-amino-5-benzyl-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide	C29H33ClN10O3
[(3aR,6aS,8R,10R,10aR,10bS)-5-(ethoxycarbonyloxymethyl)-3a,10a-dihydroxy-2,7,7,8,10-pentamethyl-3-oxo-6a,9,10,10b-tetrahydro-4H-benzo[e]azulen-8-yl] 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)acetate	C36H54O8
CID 143741551	C17H19ClN3O2S+
5-[2-(difluoromethoxy)-7H-cyclopenta[b]pyridin-5-yl]pyrazolo[1,5-a]pyridine;molecular hydrogen	C16H13F2N3O
4,5,6,7-Tetrahydro-1,2-benzotellurazole	C7H9NTe
(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid	C22H20FN5O3
(1R,4R,9R,10S,11R,13S,15R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-diol	C20H32O2
N-[(1R)-2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-1H-indole-6-carboxamide	C26H32N4O2
4-[(E)-3-(2,3-dihydroxypropylsulfanylmethyl)-4,4,4-trifluoro-3-hydroxybut-1-enyl]-2-(trifluoromethyl)benzonitrile	C16H15F6NO3S
(3S)-7-[[3-[2-cyclopropyl-5-(trifluoromethyl)pyrazol-3-yl]oxycyclobutyl]amino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one	C22H26F3N7O2

1-[2-Nitro-4-(trifluoromethyl)phenyl]-2-prop-2-enylpiperidine

C15H17F3N2O2

1-[8-(5-chloro-2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine

C18H20ClNO

4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxy-1-[4-(methylamino)butyl]piperidin-4-yl]benzamide

C19H31ClN4O3

[2-(Methoxymethylamino)-2-oxoethyl] 2,2-dimethylbutanoate

C10H19NO4

3-[4-(difluoromethoxy)-3-ethoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid

C21H19F2N3O4

3-Methyl-3-[5-[3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyridin-2-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

C22H19F3N4O2

N-(2-amino-2-methylpropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide;hydrochloride

C15H30ClN3O2

N-[2-[(propanoylamino)carbamoyl]-6-(trifluoromethyl)furo[2,3-b]pyridin-3-yl]propanamide

C15H15F3N4O4

9,10-Dicarbamoyl-7-methylperylene-3,4-dicarboxylic acid

C25H16N2O6

N-[2-[[(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-hydroxyoxan-3-yl]amino]-2-oxoethyl]-2-methylbenzamide

C28H47N7O11

4-(Cyclopropanecarbonyl)-6-(3-fluorophenyl)-6,9-dimethylspiro[4,11,14-triazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),7,10-triene-12,1'-cyclopropane]-13-one

C27H28FN3O2

1-[(4-Nitrophenyl)methyl]-1H-benzimidazol-2-amine

C14H12N4O2

tert-butyl N-[[6-[2-chloro-3-(3-iodo-2H-indazol-7-yl)phenyl]-2-methoxypyridin-3-yl]methyl]-N-[(3-hydroxycyclobutyl)methyl]carbamate

C30H32ClIN4O4

3-benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one

C16H13ClN4O

Chloro-decyl-propoxyalumane

C13H28AlClO

Cyclohexyl-(imidazol-1-ylmethyl)-diphenylsilane;ethenyl(diphenyl)borane

C36H39BN2Si

1-Bromo-3-[2-ethyl-6-(trifluoromethylsulfanyl)phenyl]propan-2-one

C12H12BrF3OS

(2R,3R,4R)-2-[2-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(3,4-difluorophenyl)-4-ethenyloxane

C23H20F8O2

2-[(4R,5R)-4,5-dimethoxy-3-pyrazin-2-ylimidazolidin-1-yl]pyrazine

C13H16N6O2

N-[[3-[[5-(2,2-difluoroethoxy)-6-[4-[4-(trifluoromethyl)cyclohexyl]butanoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]-4-(trifluoromethyl)phenyl]methyl]-1-methylimidazole-2-carboxamide

C32H33F8N7O3

(4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-[[[2-(dimethylamino)acetyl]amino]methyl]-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

C28H37N5O8

N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-morpholin-4-ylpropanamide

C24H38N4O5

5-[[2-Butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid

C27H29N3O5

1,2,2,2-Tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonic acid

C5HF11O4S

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C19H22F2N2O5S

1-[1-(3-Fluoropyridin-2-yl)pyrrolidin-3-yl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine

C20H27FN6O2S

3-[(3-Chloro-4-hydroxyphenyl)iminomethyl]-1,3-dihydroindol-2-one

C15H11ClN2O2

[4-Methyl-5-(trifluoromethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C5H7F3N4S

Ethyl 1,5-diethyl-4-hydroxy-2-oxo-1,6-naphthyridine-3-carboxylate

C15H18N2O4

2-[(1-Carbamimidoyl-2,5-dihydropyrrol-3-yl)amino]propanoic acid

C8H14N4O2

3-amino-4-(7,8-difluoro-2-methylquinazolin-5-yl)-2-fluoro-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol

C21H17F6N3O2

(3-Aminopiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone;hydrochloride

C18H29ClN2O4

(1S,8R)-5-(2,6-difluorophenyl)-11,11-dimethyl-1-[6-(1-propyltriazol-4-yl)pyrazin-2-yl]-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C26H25F2N7

5-(3-fluorophenyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C24H20F2N2O4S

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C21H15ClF4N2O3S

3-(4-Ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperidin-1-yl)quinolin-1-ium

C24H29N2O3S+

1-(5-Amino-2-propyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one

C16H23N3O

1-[(Z)-11-but-1-en-2-yloxyundec-8-enoyl]-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide

C31H40N4O6

Methyl 2-(2-bromo-4-fluoro-6-hydroxyphenyl)acetate

C9H8BrFO3

1-[4-[3-[(2S)-4-acetyl-2-ethylpiperazin-1-yl]-4-(5-chloro-6,7-dimethyl-1H-indazol-4-yl)-2,5-dimethyl-3H-pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one

C30H42ClN7O2

N,N-diethyl-3-nitrobenzamide

C11H14N2O3

3-Ethyl-6-[[2-(3-imidazol-1-ylpropylamino)phenyl]sulfonylamino]-2-methoxybenzoic acid

C22H26N4O5S

7-chloro-3-hydroxy-3-[(6-methylpyridin-2-yl)methyl]-1H-indol-2-one

C15H13ClN2O2

(3S)-N-[(3-methylphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H19F3N2O2

1-(3,4-Difluorophenyl)-3-(4-methylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione

C23H15F2N3O4

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-hydroxy-3-(piperidine-1-carbonyl)benzamide

C32H37F2N3O4

4-(2,2-Difluorocyclopropyl)phenylfluoranesulfonate

C9H7F3O3S

2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

C13H12N4OS3

(2S,3S)-3-[[6-(5-chlorothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-[1-(difluoromethyl)pyrazol-3-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-propan-2-ylsulfanylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid

C98H92ClF10N21O8S2

4-[(S)-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-(2-fluorophenyl)methyl]morpholine

C17H15BrFN3O2S

1-N,6-N-bis[3-(3,5-ditert-butylphenyl)phenyl]-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine

C80H76N2

(2S)-2-[(1R,2S)-2-methylcyclohexyl]butanoic acid

C11H20O2

1-[2-(2,2-difluoroethoxy)ethyl]-N-ethylpiperidin-4-amine

C11H22F2N2O

5-Methyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C31H22N2

2-[(1S,2R)-2-aminocyclopentyl]-N-(2,2-difluoroethyl)-N-propylacetamide

C12H22F2N2O

(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

C64H54N8O12

N-[3-[4-amino-3-(4-cyclohexyloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutyl]but-2-ynamide

C25H28N6O2

[(2S)-2-hydroxy-3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypropyl] (E)-3-phenylprop-2-enoate

C47H50O8

1-[3-(Difluoromethoxy)phenyl]-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanol

C17H19F2NO2S

1-[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

C19H20FN5O2

N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C16H15F3N2O

5-(5-fluoropentyl)-N-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide

C22H24F4N6O4S

N-[3-[4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-1,6-dimethyl-2-methylidene-3,4-dihydropyridine-5-carboxamide

C30H33F3N4O

Guanidine, 1-(2-benzothiazolyl)-2-benzoyl-

C15H12N4OS

Pyrrolidin-1-yl(quinolin-5-yl)methanone

C14H14N2O

CID 157716853

C42H82B8N2O8

1-(3,5-Diethylphenyl)-4-methylpentane-1,3-dione

C16H22O2

(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C20H37N3O

N-(4,6-diamino-1,3,5-triazin-2-yl)-4-nitrobenzenesulfonamide

C9H9N7O4S

N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide

C20H23FN4O

1-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-3-[(2-methoxy-4-methylphenyl)methyl]-2-methylguanidine;hydroiodide

C20H27BrIN3O3

4-[3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride

C29H27BrCl3N5O4

2-[(4-Methoxyphenyl)methyl]imidazo[1,2-b]pyridazine-6,8-diamine

C14H15N5O

Ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[[4-(hydroxymethyl)pyridin-3-yl]methyl]phenyl]propanoate

C23H29NO5

5-(4-Hydroxy-1,2-oxazol-3-yl)-2-methoxybenzenesulfonic acid

C10H9NO6S

N-[(4S,5S)-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-indazol-5-yl]naphthalene-2-carboxamide

C31H24FN3O2

Cyclobutanone;1-methylcyclobutan-1-ol

C9H16O2

2-Nitroheptadecanedioic acid

C17H31NO6

1-Fluoro-4-hydroxy-3-nitro-1-benzazepine-2,5-dione

C10H5FN2O5

Ethyl 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole-4-carboxylate

C15H12Cl2FNO3

2,6-dichloro-N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridin-4-yl]benzamide

C17H12Cl3N5O

1'-Ethylspiro[indoline-3,3'-pyrrolidin]-2-one

C13H16N2O

5-Chloro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepine

C15H13ClS

[(3R,3aR)-3-methyl-1,3,3a,4,9,9a-hexahydrobenzo[f]indazol-2-yl]-(3-methyl-4-nitrophenyl)methanone

C20H21N3O3

N-butan-2-yloxy-N-methylmethanamine

C6H15NO

(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;1-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]propan-2-one

C102H100N14O7S2

(6Z,8Z)-3-(azetidin-1-yl)-5-methyldeca-6,8-diene-1-thiol

C14H25NS

(1R,3R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole

C22H19NO3

N-ethyl-2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]acetamide

C12H16FNO3

(1S)-1-[[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]amino]octan-1-ol

C23H38N2O4

3-amino-5-benzyl-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C29H33ClN10O3

[(3aR,6aS,8R,10R,10aR,10bS)-5-(ethoxycarbonyloxymethyl)-3a,10a-dihydroxy-2,7,7,8,10-pentamethyl-3-oxo-6a,9,10,10b-tetrahydro-4H-benzo[e]azulen-8-yl] 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)acetate

C36H54O8

CID 143741551

C17H19ClN3O2S+

5-[2-(difluoromethoxy)-7H-cyclopenta[b]pyridin-5-yl]pyrazolo[1,5-a]pyridine;molecular hydrogen

C16H13F2N3O

4,5,6,7-Tetrahydro-1,2-benzotellurazole

C7H9NTe

(2S,3S)-3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)furo[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

C22H20FN5O3

(1R,4R,9R,10S,11R,13S,15R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-11,15-diol

C20H32O2

N-[(1R)-2-oxo-1-phenyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethyl]-1H-indole-6-carboxamide

C26H32N4O2

4-[(E)-3-(2,3-dihydroxypropylsulfanylmethyl)-4,4,4-trifluoro-3-hydroxybut-1-enyl]-2-(trifluoromethyl)benzonitrile

C16H15F6NO3S

(3S)-7-[[3-[2-cyclopropyl-5-(trifluoromethyl)pyrazol-3-yl]oxycyclobutyl]amino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C22H26F3N7O2