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Ligand Download |
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| Ligand Name: 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | ||
| HET ID: LG0 | PubChem: 24836819 | |
| DrugBank: - | ChEMBL: CHEMBL461091 | |
| Canonical SMILES: COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)C1(CC1)CN1CCCC1)C(F)(F)F | ||
| Standard InChI: InChI=1S/C28H29F3N4O2/c1-37-22-10-8-21(9-11-22)35-24-23(25(32-35)28(29,30)31)12-17-34(26(24)36)20-6-4-19(5-7-20)27(13-14-27)18-33-15-2-3-16-33/h4-11H,2-3,12-18H2,1H3 | ||
| Molecular Formula: C28H29F3N4O2 | Mol. Weight: 510.55066 | Heavy Atoms: 37 |
| Charge: 0 | Is Chiral: False | logP: 5.2329 |
| HBD: 0 | HBA: 6 | TPSA: 50.6 |
| #Bonds: 42 | #Rotatable Bonds: 7 | Shape Complexity: 0.42857143 |
| Stereocomplexity: 0.0 | ||