 |
| 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 |
Ligand Type: Small Molecule |