cmpdname stringlengths 2 900 ⌀ | mf stringlengths 1 63 |
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(11S,13S,17S)-13-methyl-11-[4-[2-[methyl-[2-(2-propoxyethoxy)ethyl]amino]ethoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | C34H49NO5 |
N-cyclopentyl-5-(5-isopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide | C14H19N3O4S |
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate | C18H19N3O4 |
1-(2,3,3a,4-Tetrahydroinden-1-id-1-yl)-1-methylsiletane;zirconium(4+);dichloride | C26H38Cl2Si2Zr |
(1S,9R)-1-(methoxymethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene | C17H17NO |
CID 20810395 | W7 |
1-(3-chloro-4-fluorophenyl)-N-(3,4-dimethoxybenzyl)-5-oxopyrrolidine-3-carboxamide | C20H20ClFN2O4 |
3,6-Dimethoxyxanthen-9-imine | C15H13NO3 |
9H-fluoren-9-ylmethyl (2S)-2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate | C26H24N2O4 |
1-(2,3-Dimethylphenyl)-3-(thiophen-2-YL)urea | C13H14N2OS |
1-[(2,4-Diethylphenyl)methyl]pyrrole-2,5-dione | C15H17NO2 |
2-N'-dibenzothiophen-4-yl-2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine | C64H44N2S |
methyl (2R)-2-benzamido-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropanoate | C25H31NO12S |
tert-butyl N-[5-(5-amino-2-fluoro-4-nitrophenyl)-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-yl]carbamate | C15H20FN5O6S |
[(2-Ethylpyrazol-3-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine | C13H14F4N4 |
Phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone | C24H20N2O |
4-[4-[(2S)-2-[3-(difluoromethyl)-2-fluorophenyl]propyl]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-4-methoxypiperidine-1-carbaldehyde | C25H27F3N4O3 |
tert-butyl (2R,3R)-3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate | C23H30N2O2 |
3-[8-(3-Propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde | C24H44O |
[4-(2,5-Dioxooxolan-3-yl)oxyphenyl]-bis(4-methylphenyl)sulfanium | C24H21O4S+ |
6-Iodo-7-(2-methoxyethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine | C13H14IN5O |
5-(6-Ethoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)pentyl prop-2-enoate;6-ethoxy-2-(5-hydroxypentyl)benzo[de]isoquinoline-1,3-dione;prop-2-enoyl chloride | C44H47ClN2O10 |
4-[4-(1-methoxynaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine | C25H28N2O2 |
2-Butan-2-yl-2-ethylbicyclo[1.1.0]butane | C10H18 |
3-tert-butyl-N-[1-[4-[3-(cyclopentylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide | C26H31N7O2 |
1-(3,4-Dihydroxy-5-nitrophenyl)-2-naphthalen-1-ylethanone | C18H13NO5 |
4-methyl-4-[4-methyl-3-(triethoxysilylmethyl)pentanethioyl]oxy-6-triethoxysilylhexanethioic S-acid | C26H54O8S2Si2 |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1S,3Z,5Z,8R)-2-methylidene-8-[[8-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]cyclodeca-3,5-dien-1-yl]urea | C38H48N8O2 |
2-[[(2R)-1-amino-2-methyl-1,3-dioxo-4,4-diphenylbutan-2-yl]-(carboxylatomethyl)amino]acetate | C21H20N2O6-2 |
N,N-Dimethyl-N'-(3-{[6-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)urea | C15H14F3N3O2 |
3-phenyl-1-[(6R)-5-(thiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]propan-1-one | C20H19N3O2S |
[2-[(3S,5S)-5-[[4-(4-carbamimidoylphenyl)-2-fluorophenoxy]methyl]-2-oxopyrrolidin-3-yl]acetyl]oxymethyl 2,2-dimethylpropanoate | C26H30FN3O6 |
4-butyl-1-propan-2-ylpiperidine;N-(2-hydroxyethyl)-2-(1-propan-2-ylpiperidin-4-yl)-N-propylacetamide;4-(2-methylcyclopropyl)-1-propan-2-ylpiperidine;2-methyl-2-(4-propan-2-yl-1,4-diazepan-1-yl)propan-1-ol;2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid;2-(4-propan-2-yl-1,4-diazepan-1-yl)ethanol;2-(1-propan-2-ylpiperidin... | C84H172N12O7 |
4-(3-bromo-4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol;chloride | C14H15BrClN5O |
2,3,5,6-tetrafluoro-N-[(1-methylcyclohexyl)methyl]pyridin-4-amine | C13H16F4N2 |
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene | C30H27O3P |
4-Fluoro-1-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylazepan-4-yl)piperidin-4-yl]benzimidazole | C29H39FN4O2S |
[4-(N-[4-(diethylamino)phenyl]anilino)phenyl] propanoate | C25H28N2O2 |
Heptadeca-2,4,6-triene-1,1,1-triol | C17H30O3 |
5-Chloro-1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2,6-difluorophenyl)-1,2,4-triazole | C15H6Cl2F5N3 |
N-[[(3R,4S)-3-ethyl-4-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)cyclopentyl]methylidene]-4,4,4-trifluorobutane-1-sulfonamide | C19H25F3N6O2S |
5-fluoro-4-iodo-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline | C13H12FIN2O3 |
4-[(1R,2S)-2-hydroxy-2-methylcyclopentyl]oxy-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]pyrimidine-5-carbonitrile | C17H22F3N5O4S |
1-[2-(Ethylcarbamoyl)pyridin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid | C14H16N4O3 |
1-[2-(dimethylamino)ethyl]-8-fluoro-3,4-dihydro-2H-quinolin-6-amine;ethane | C15H26FN3 |
12-[(4-Fluorophenyl)methyl]-8-methoxy-6-sulfanylidene-7,11b-dihydroquinazolino[1,2-c]quinazolin-13-one | C23H18FN3O2S |
6-(Butylamino)-3-(2-methoxyethoxymethyl)-1,3-benzoxazol-2-one | C15H22N2O4 |
4-Chloro-5-phenoxyindole-2-carboxylic acid | C15H10ClNO3 |
N-(4-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide | C12H13FN4OS |
1-(5-cyano-2-fluorophenyl)-N-(1-hydroxypentan-3-yl)methanesulfonamide | C13H17FN2O3S |
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-6-methyl-1H-indole | C17H19NO2 |
3-(2,6-difluorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide | C18H21F2NO4S |
CID 87966849 | C62H121O6S3Sn |
6-Ethylnaphthalen-2-ol;formic acid | C13H14O3 |
N-[5-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinoxalin-6-yl]pyridin-3-yl]benzenesulfonamide | C30H27N5O3S |
2-Methyl-4-[[1-(5-pyrimidin-2-ylpent-1-enylsulfonyl)piperidin-4-yl]oxymethyl]quinoline | C25H30N4O3S |
1-[(3,4-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol | C14H20F2N2O |
N-[4-(3,4-dihydroxybutyl)pyridin-2-yl]-5-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;ethane;N-ethylformamide | C25H38N6O4 |
2-(((2-Amino-2-deoxy-beta-D-glucopyranosyl)oxy)methyl)-1,8-dihydroxy-9,10-anthracenedione | C21H21NO9 |
2-[(S)-1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]-6-fluorophenol;hydrate | C20H24FN3O3 |
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-oxo-4-phenylbutanamide | C23H20FNO3 |
1-[(5-Ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide | C15H22IN5S |
2-Ethylbutyl 2-ethylpentadecanoate | C23H46O2 |
methyl (3aR)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3aH-furo[2,3-d][1,3]dioxole-5-carboxylate | C24H26O7 |
[2-Oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-(3,4-dimethylphenoxy)acetate | C18H14F5NO4 |
9-(3-Carboxy-2,2-dimethylcyclobutanecarbonyl)oxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | C35H54O6 |
2-(3,5-Dipyrrolidin-1-ylphenyl)quinoline;propane | C26H33N3 |
disodium;(2S)-5-[[(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(oxidocarbonyl(113C)methyl(15N)amino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoate | C18H22N4Na2O8S |
2-Fluoro-2-(4-methoxy-3-methylphenyl)propanoic acid | C11H13FO3 |
2-[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride | C18H25ClN2O3S |
2-Bromo-6-ethylpyridine;(6-bromopyridin-2-yl)methanol | C13H14Br2N2O |
2-[(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[(3S)-1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl... | C137H161ClN20O10 |
Chloro-(3-ethylphenyl)-phenylphosphane | C14H14ClP |
CID 143427735 | C31H35N6O5S+ |
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine | C23H24F2N4O |
N-[(2S)-2-(dimethylamino)-3-(2-methoxyquinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide | C27H31F3N4O2 |
N-[5-(6-fluoro-5-methylpyridin-3-yl)oxy-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide | C18H18FN3O4 |
4-chloro-2-(4-chlorophenyl)-1,3-dimethyl-5-piperidin-1-ylisoindole;1-[1-(4-chlorophenyl)-2,5-dimethylimidazol-4-yl]-2-piperidin-1-ylethanone;2-(4-chlorophenyl)-1,3-dimethyl-4-(piperidin-1-ylmethyl)pyrrolo[3,4-c]pyridine;2-(diethylamino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;1-[2,5-diethyl-1-(4-fluoroph... | C178H219Cl4F2N22O8W3-3 |
N-(3-benzyl-1,3-thiazol-3-ium-2-yl)-1,1-bis(methylsulfanyl)methanimine;iodide | C13H15IN2S3 |
1-cyclopropyl-3-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-1-ethylurea | C16H21FN2O |
3-(azetidin-1-ylsulfonyl)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide | C17H16F2N2O4S |
2-(3-(4-(1H-indazol-5-ylamino)quinazolin-2-yl)phenoxy)-1-morpholinoethanone | C27H24N6O3 |
N-[2-[(2S,5S)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N-(2-hydroxyethyl)heptanamide | C17H33NO7 |
7-(Methoxymethoxy)-2-[2-(methoxymethoxy)phenyl]-2,3-dihydrochromen-4-one | C19H20O6 |
1-[1-(2-Chloro-6-fluorophenyl)-5-ethyltriazol-4-yl]propan-1-one | C13H13ClFN3O |
1-methyl-N-[2-(2-methylsulfanylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide | C19H16F3N3OS |
[2-Pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine | C14H11F3N4 |
6-[6-[2-(4-Hydroxyphenoxy)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;dihydrochloride | C27H42Cl2N2O4 |
1-[2-(Cyclopropylmethoxy)ethyl]-3-ethyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-methylguanidine;hydroiodide | C20H31FIN3O |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(pyren-1-ylmethoxy)pentyl]piperidine-3,4,5-triol | C28H33NO5 |
1,1,1-trifluoro-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol | C7H6F6N2O |
3-[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one | C17H19ClN2O3 |
Ethyl 6-quinolin-3-yl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate | C19H20N2O2 |
3-({Methyl[(3-phenyl-5-isoxazolyl)methyl]amino}methyl)-2-pyridinamine | C17H18N4O |
4-Cyano-5-(difluoromethoxy)-2-sulfanylbenzenesulfonyl chloride | C8H4ClF2NO3S2 |
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide | C20H20F2N4O3 |
2-(3-fluorophenyl)-5-[2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]pyridine | C20H18F4N4 |
4-(2,2,3-trimethylbut-3-enyl)-1H-pyridin-2-one | C12H17NO |
4-(2-Butoxyethoxy)-2-chloro-1-[4-[4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexyl]butyl]benzene;[4-[[4-(4-ethyl-2,5-difluorophenyl)phenoxy]methyl]cyclohexyl]methyl pentanoate;1-heptyl-4-[4-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]benzene | C86H129ClF2O6 |
2-(2,6-difluorophenyl)-4-[[5-[(2S)-2,4-dimethylpiperazin-2-yl]pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one | C24H24F2N6O |
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