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Ligand Download |
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| Ligand Name: 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | ||
| HET ID: 49D | PubChem: 135567003 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1ccc(cc1)[C@@H](Nc1[nH]c(=O)c2c(n1)n(nc2)C1CCCC1)C | ||
| Standard InChI: InChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m0/s1 | ||
| Molecular Formula: C18H20ClN5O | Mol. Weight: 357.8373 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 4.1342 |
| HBD: 2 | HBA: 5 | TPSA: 75.6 |
| #Bonds: 30 | #Rotatable Bonds: 4 | Shape Complexity: 0.3888889 |
| Stereocomplexity: 0.055555556 | ||