Ligand |
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| Ligand Name: ~{N}-methylquinazolin-4-amine | ||
| HET ID: M0W | PubChem: 252220 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CNc1ncnc2c1cccc2 | ||
| Standard InChI: InChI=1S/C9H9N3/c1-10-9-7-4-2-3-5-8(7)11-6-12-9/h2-6H,1H3,(H,10,11,12) | ||
| Molecular Formula: C9H9N3 | Mol. Weight: 159.18787 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 1.7445 |
| HBD: 1 | HBA: 3 | TPSA: 37.81 |
| #Bonds: 13 | #Rotatable Bonds: 1 | Shape Complexity: 0.11111111 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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