Ligand |
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| Ligand Name: 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: 5V3 | PubChem: 135567116 | |
| DrugBank: - | ChEMBL: CHEMBL3775615 | |
| Canonical SMILES: O=c1nc[nH]c2c1ccnc2CNCc1ccccc1 | ||
| Standard InChI: InChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20) | ||
| Molecular Formula: C15H14N4O | Mol. Weight: 266.29785 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: 1.9988 |
| HBD: 2 | HBA: 4 | TPSA: 70.67 |
| #Bonds: 23 | #Rotatable Bonds: 4 | Shape Complexity: 0.13333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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