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Ligand Download |
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| Ligand Name: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine | ||
| HET ID: 539 | PubChem: 117072548 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1 | ||
| Standard InChI: InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24) | ||
| Molecular Formula: C18H16Cl2N4 | Mol. Weight: 359.25244 | Heavy Atoms: 24 |
| Charge: 0 | Is Chiral: False | logP: 5.4261 |
| HBD: 1 | HBA: 4 | TPSA: 50.7 |
| #Bonds: 27 | #Rotatable Bonds: 3 | Shape Complexity: 0.2777778 |
| Stereocomplexity: 0.0 | ||