molecule_chembl_id string | canonical_smiles string | standard_value float64 | pIC50 float64 | MW float64 | LogP float64 | HBD int64 | HBA int64 | TPSA float64 | RotB int64 | Label int64 |
|---|---|---|---|---|---|---|---|---|---|---|
CHEMBL3683269 | C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(O)C3)cn2)cs1)C(F)(F)F | 2.2 | 8.657577 | 559.578 | 3.8063 | 2 | 11 | 126.88 | 7 | 1 |
CHEMBL3639821 | O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCCC2)cn1 | 2 | 8.69897 | 501.62 | 4.4372 | 1 | 10 | 106.65 | 7 | 1 |
CHEMBL3683270 | C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F | 0.7 | 9.154902 | 557.606 | 5.2256 | 1 | 10 | 106.65 | 7 | 1 |
CHEMBL3687971 | C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C)(O)CC3)cn2)cs1)C(F)(F)F | 1.8 | 8.744727 | 587.632 | 4.5865 | 2 | 11 | 126.88 | 7 | 1 |
CHEMBL3687972 | CC1(O)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1 | 2.5 | 8.60206 | 531.646 | 3.7981 | 2 | 11 | 126.88 | 7 | 1 |
CHEMBL3687973 | C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1)C(F)(F)F | 2.1 | 8.677781 | 572.621 | 3.9871 | 1 | 11 | 109.89 | 7 | 1 |
CHEMBL3687974 | CN1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1 | 3.1 | 8.508638 | 516.635 | 3.1987 | 1 | 11 | 109.89 | 7 | 1 |
CHEMBL3683258 | CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | 6.3 | 8.200659 | 452.514 | 4.1799 | 2 | 6 | 69.45 | 2 | 1 |
CHEMBL3916717 | Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 | 5 | 8.30103 | 445.502 | 4.68392 | 1 | 7 | 90.52 | 6 | 1 |
CHEMBL4073198 | COCCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1 | 60 | 7.221849 | 361.431 | 2.0777 | 1 | 9 | 99.75 | 7 | 1 |
CHEMBL4105386 | CC(C)n1cnnc1-c1nc(C(=O)Nc2ccccn2)cs1 | 400 | 6.39794 | 314.374 | 2.6298 | 1 | 7 | 85.59 | 4 | 1 |
CHEMBL4084596 | CCn1cc(NC(=O)c2csc(-c3nncn3C(C)C)n2)cn1 | 600 | 6.221849 | 331.405 | 2.4512 | 1 | 8 | 90.52 | 5 | 1 |
CHEMBL4062930 | CCn1cnc(NC(=O)c2cscn2)c1 | 100,000 | 4 | 222.273 | 1.6118 | 1 | 5 | 59.81 | 3 | 0 |
CHEMBL4082079 | CCn1cnc(NC(=O)c2ccoc2)c1 | 500,000 | 3.30103 | 205.217 | 1.7483 | 1 | 4 | 60.06 | 3 | 0 |
CHEMBL3891901 | Cc1ccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(F)c1 | 55 | 7.259637 | 339.374 | 3.62082 | 1 | 5 | 72.7 | 4 | 1 |
CHEMBL3981026 | Cc1cc(F)c(C(=O)Nc2ccccn2)cc1-n1cnc(C2CC2)c1 | 6,000 | 5.221849 | 336.37 | 3.84452 | 1 | 4 | 59.81 | 4 | 0 |
CHEMBL4083562 | CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F | 0.7 | 9.154902 | 557.606 | 5.2256 | 1 | 10 | 106.65 | 7 | 1 |
CHEMBL4205988 | CN(C)c1cccc(Nc2nccc(NCCOc3ccccc3)n2)c1 | 2,000 | 5.69897 | 349.438 | 3.7771 | 2 | 6 | 62.31 | 8 | 0 |
CHEMBL359730 | c1ccc(Nc2ncnc3[nH]cnc23)cc1 | 10,000 | 5 | 211.228 | 2.0965 | 2 | 4 | 66.49 | 2 | 0 |
CHEMBL361227 | Fc1ccc(Nc2[nH]cnc3ncnc2-3)cc1 | 10,000 | 5 | 229.218 | 2.1872 | 2 | 4 | 66.49 | 2 | 0 |
CHEMBL4204805 | Clc1cccc(Nc2ncnc3[nH]cnc23)c1 | 10,000 | 5 | 245.673 | 2.7499 | 2 | 4 | 66.49 | 2 | 0 |
CHEMBL3431228 | CC(=O)Nc1cccc(Nc2ncnc3[nH]cnc23)c1 | 10,000 | 5 | 268.28 | 2.0549 | 3 | 5 | 95.59 | 3 | 0 |
CHEMBL4208205 | CN(C)c1cccc(Nc2ncnc3[nH]cnc23)c1 | 10,000 | 5 | 254.297 | 2.1625 | 2 | 5 | 69.73 | 3 | 0 |
CHEMBL1644356 | c1ccc(Nc2ncc3ccccc3n2)cc1 | 10,000 | 5 | 221.263 | 3.3734 | 1 | 3 | 37.81 | 2 | 0 |
CHEMBL4214456 | Clc1cccc(Nc2ncc3ccccc3n2)c1 | 10,000 | 5 | 255.708 | 4.0268 | 1 | 3 | 37.81 | 2 | 0 |
CHEMBL4211446 | Fc1ccc(Nc2ncc3ccccc3n2)cc1 | 10,000 | 5 | 239.253 | 3.5125 | 1 | 3 | 37.81 | 2 | 0 |
CHEMBL4211961 | CC(=O)Nc1cccc(Nc2ncc3ccccc3n2)c1 | 900 | 6.045757 | 278.315 | 3.3318 | 2 | 4 | 66.91 | 3 | 1 |
CHEMBL4212924 | Nc1cccc(Nc2ncc3ccccc3n2)c1 | 10,000 | 5 | 236.278 | 2.9556 | 2 | 4 | 63.83 | 2 | 0 |
CHEMBL4208553 | Brc1ccc2nc(Nc3ccccc3)ncc2c1 | 10,000 | 5 | 300.159 | 4.1359 | 1 | 3 | 37.81 | 2 | 0 |
CHEMBL4203678 | Fc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1 | 10,000 | 5 | 318.149 | 4.275 | 1 | 3 | 37.81 | 2 | 0 |
CHEMBL4213056 | CC(=O)Nc1cccc(Nc2ncc3cc(Br)ccc3n2)c1 | 10,000 | 5 | 357.211 | 4.0943 | 2 | 4 | 66.91 | 3 | 0 |
CHEMBL4202621 | Nc1cccc(Nc2ncc3cc(Br)ccc3n2)c1 | 10,000 | 5 | 315.174 | 3.7181 | 2 | 4 | 63.83 | 2 | 0 |
CHEMBL4214280 | CC(C)(C)C(=O)N(c1ccccc1)c1cccc(Nc2ncc3cc(Br)ccc3n2)c1 | 10,000 | 5 | 475.39 | 6.8467 | 1 | 4 | 58.12 | 4 | 0 |
CHEMBL4214507 | Nc1cccc(-c2ccc3nc(Nc4ccccc4)ncc3c2)c1 | 10,000 | 5 | 312.376 | 4.6226 | 2 | 4 | 63.83 | 3 | 0 |
CHEMBL4213241 | c1ccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)cc1 | 10,000 | 5 | 287.326 | 3.7635 | 2 | 4 | 66.49 | 3 | 0 |
CHEMBL4213931 | Cn1cc(-c2ccc3nc(Nc4ccccc4)ncc3c2)cn1 | 10,000 | 5 | 301.353 | 3.7739 | 1 | 5 | 55.63 | 3 | 0 |
CHEMBL4208855 | CC(=O)Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1 | 10,000 | 5 | 369.428 | 4.581 | 3 | 5 | 92.93 | 4 | 0 |
CHEMBL4215414 | CC(=O)Nc1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1 | 200 | 6.69897 | 344.378 | 3.7219 | 3 | 5 | 95.59 | 4 | 1 |
CHEMBL4205418 | CC(=O)Nc1cccc(Nc2ncc3cc(-c4cnn(C)c4)ccc3n2)c1 | 10,000 | 5 | 358.405 | 3.7323 | 2 | 6 | 84.73 | 4 | 0 |
CHEMBL4215465 | Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1 | 10,000 | 5 | 327.391 | 4.2048 | 3 | 5 | 89.85 | 3 | 0 |
CHEMBL4217652 | Nc1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1 | 600 | 6.221849 | 302.341 | 3.3457 | 3 | 5 | 92.51 | 3 | 1 |
CHEMBL4205944 | Cn1cc(-c2ccc3nc(Nc4cccc(N)c4)ncc3c2)cn1 | 10,000 | 5 | 316.368 | 3.3561 | 2 | 6 | 81.65 | 3 | 0 |
CHEMBL4214195 | CC(C)(C)C(=O)N(c1ccccc1)c1cccc(Nc2ncc3cc(-c4cn[nH]c4)ccc3n2)c1 | 10,000 | 5 | 462.557 | 6.4743 | 2 | 5 | 86.8 | 5 | 0 |
CHEMBL4202507 | Cn1cc(-c2ccc3nc(Nc4cccc(N(C(=O)C(C)(C)C)c5ccccc5)c4)ncc3c2)cn1 | 10,000 | 5 | 476.584 | 6.4847 | 1 | 6 | 75.94 | 5 | 0 |
CHEMBL3916717 | Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 | 6 | 8.221849 | 445.502 | 4.68392 | 1 | 7 | 90.52 | 6 | 1 |
CHEMBL4278211 | COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 736 | 6.133122 | 416.463 | 1.8293 | 2 | 8 | 142.09 | 6 | 1 |
CHEMBL4278211 | COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 1.5 | 8.823909 | 416.463 | 1.8293 | 2 | 8 | 142.09 | 6 | 1 |
CHEMBL4286123 | CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 | 73 | 7.136677 | 414.491 | 2.9349 | 2 | 7 | 118.87 | 7 | 1 |
CHEMBL4293924 | CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(N)=O)c2)n1 | 580 | 6.236572 | 350.382 | 2.2722 | 2 | 6 | 115.79 | 5 | 1 |
CHEMBL4286022 | CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(-c3ncc[nH]3)c2)n1 | 170 | 6.769551 | 373.42 | 3.5634 | 2 | 6 | 101.38 | 5 | 1 |
CHEMBL4290518 | CCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 | 0.32 | 9.49485 | 444.517 | 2.9435 | 2 | 8 | 128.1 | 8 | 1 |
CHEMBL4290518 | CCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 | 41 | 7.387216 | 444.517 | 2.9435 | 2 | 8 | 128.1 | 8 | 1 |
CHEMBL4282644 | COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 1 | 9 | 380.408 | 2.2808 | 2 | 7 | 125.02 | 6 | 1 |
CHEMBL4282644 | COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 94 | 7.026872 | 380.408 | 2.2808 | 2 | 7 | 125.02 | 6 | 1 |
CHEMBL4287097 | COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 5 | 8.30103 | 415.475 | 2.5854 | 1 | 8 | 116.07 | 6 | 1 |
CHEMBL4287097 | COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 140 | 6.853872 | 415.475 | 2.5854 | 1 | 8 | 116.07 | 6 | 1 |
CHEMBL4279174 | CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 | 2.4 | 8.619789 | 394.435 | 2.5415 | 2 | 7 | 111.03 | 6 | 1 |
CHEMBL4279174 | CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 | 272 | 6.565431 | 394.435 | 2.5415 | 2 | 7 | 111.03 | 6 | 1 |
CHEMBL4283739 | COc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 0.1 | 10 | 430.49 | 2.13772 | 2 | 8 | 142.09 | 6 | 1 |
CHEMBL4283739 | COc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 84 | 7.075721 | 430.49 | 2.13772 | 2 | 8 | 142.09 | 6 | 1 |
CHEMBL4294318 | COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 0.42 | 9.376751 | 394.435 | 2.58922 | 2 | 7 | 125.02 | 6 | 1 |
CHEMBL4294318 | COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 28 | 7.552842 | 394.435 | 2.58922 | 2 | 7 | 125.02 | 6 | 1 |
CHEMBL4289040 | COc1cc(C)c(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 4 | 8.39794 | 429.502 | 2.89382 | 1 | 8 | 116.07 | 6 | 1 |
CHEMBL4289040 | COc1cc(C)c(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 | 73 | 7.136677 | 429.502 | 2.89382 | 1 | 8 | 116.07 | 6 | 1 |
CHEMBL4284524 | O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21 | 740 | 6.130768 | 327.343 | 3.9046 | 4 | 2 | 80.91 | 0 | 1 |
CHEMBL4294912 | O=C1NCc2c1c1c3cc(O)ccc3[nH]c1c1[nH]c3ccccc3c21 | 3,000 | 5.522879 | 327.343 | 3.9046 | 4 | 2 | 80.91 | 0 | 0 |
CHEMBL4284275 | COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21 | 50,000 | 4.30103 | 357.369 | 4.0496 | 4 | 3 | 90.14 | 1 | 0 |
CHEMBL4279758 | CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6cc(O)ccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O | 50,000 | 4.30103 | 498.539 | 3.551 | 5 | 6 | 128.61 | 2 | 0 |
CHEMBL4287662 | CC(=O)N[C@@H]1C[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)O[C@@H](C)[C@@H]1O | 6,400 | 5.19382 | 498.539 | 3.551 | 5 | 6 | 128.61 | 2 | 0 |
CHEMBL4288105 | C[C@@H]1O[C@@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O | 1,100 | 5.958607 | 456.502 | 3.3736 | 5 | 6 | 125.53 | 1 | 0 |
CHEMBL4277459 | CC(=O)N[C@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | 770 | 6.113509 | 480.524 | 3.6166 | 3 | 6 | 97.52 | 1 | 1 |
CHEMBL4291517 | C[C@@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 | 4,100 | 5.387216 | 455.47 | 3.1784 | 4 | 7 | 108.88 | 0 | 0 |
CHEMBL4280872 | C[C@H]1O[C@@H]2C[C@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 | 50,000 | 4.30103 | 455.47 | 3.1784 | 4 | 7 | 108.88 | 0 | 0 |
CHEMBL388978 | CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | 0.69 | 9.161151 | 466.541 | 4.354 | 2 | 6 | 69.45 | 2 | 1 |
CHEMBL4466569 | COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC | 18 | 7.744727 | 510.55 | 5.5874 | 1 | 8 | 104.57 | 7 | 1 |
CHEMBL4449840 | COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC | 9 | 8.045757 | 509.562 | 6.1924 | 1 | 7 | 91.68 | 7 | 1 |
CHEMBL3330170 | O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1 | 131 | 6.882729 | 362.315 | 2.9697 | 2 | 6 | 84.21 | 4 | 1 |
CHEMBL3916717 | Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 | 5.9 | 8.229148 | 445.502 | 4.68392 | 1 | 7 | 90.52 | 6 | 1 |
CHEMBL4451125 | CC(C)n1cnnc1-c1cccc(NC(=O)c2ccccc2F)n1 | 76 | 7.119186 | 325.347 | 3.3124 | 1 | 5 | 72.7 | 4 | 1 |
CHEMBL4470285 | O=C1Nc2cccc(n2)-c2nncn2CCCOc2ccccc21 | 161 | 6.793174 | 321.34 | 2.3749 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4561768 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21 | 11 | 7.958607 | 335.367 | 2.765 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4447729 | O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc21 | 20 | 7.69897 | 349.394 | 3.1551 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4521694 | COc1ccccc1C(=O)Nc1cccc(-c2nncn2C)n1 | 92 | 7.036212 | 309.329 | 2.138 | 1 | 6 | 81.93 | 4 | 1 |
CHEMBL4514925 | C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21 | 4 | 8.39794 | 349.394 | 3.326 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4537756 | C[C@@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21 | 350 | 6.455932 | 349.394 | 3.326 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4462230 | C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1 | 14 | 7.853872 | 349.394 | 3.011 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4442116 | C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1 | 13 | 7.886057 | 349.394 | 3.011 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4565615 | C[C@H]1CCCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2O1 | 165 | 6.782516 | 349.394 | 3.1535 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4469413 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21 | 17 | 7.769551 | 353.357 | 2.9041 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4590290 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21 | 8 | 8.09691 | 353.357 | 2.9041 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4562269 | C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21 | 7 | 8.154902 | 367.384 | 3.4651 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4542440 | C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1 | 8 | 8.09691 | 367.384 | 3.1501 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4590759 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(Br)cc21 | 31 | 7.508638 | 414.263 | 3.5275 | 1 | 6 | 81.93 | 0 | 1 |
CHEMBL4548492 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21 | 8 | 8.09691 | 420.473 | 2.6016 | 1 | 8 | 94.4 | 1 | 1 |
CHEMBL4544934 | O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CC4(COC4)C3)cc21 | 28 | 7.552842 | 432.484 | 2.6016 | 1 | 8 | 94.4 | 1 | 1 |
CHEMBL4473364 | CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2 | 8 | 8.09691 | 413.459 | 2.1685 | 1 | 8 | 116.07 | 1 | 1 |
CHEMBL4569388 | Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 | 4 | 8.39794 | 415.457 | 3.25912 | 1 | 8 | 99.75 | 1 | 1 |
CHEMBL4475667 | Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 | 5 | 8.30103 | 415.457 | 3.1655 | 1 | 8 | 99.75 | 1 | 1 |
CHEMBL4456722 | CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 | 6 | 8.221849 | 472.553 | 3.1901 | 1 | 9 | 102.99 | 4 | 1 |
CHEMBL4591648 | C[C@@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1 | 8 | 8.09691 | 504.57 | 3.5752 | 1 | 9 | 102.99 | 4 | 1 |
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