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Ligand Download |
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| Ligand Name: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | ||
| HET ID: CJG | PubChem: 86723730 | |
| DrugBank: - | ChEMBL: CHEMBL3911017 | |
| Canonical SMILES: Cc1cc(C)c(c(=O)[nH]1)CN1CCc2c(C1=O)c(Cl)c(cc2Cl)c1c(C)noc1C | ||
| Standard InChI: InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28) | ||
| Molecular Formula: C22H21Cl2N3O3 | Mol. Weight: 446.32645 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: False | logP: 4.7067 |
| HBD: 1 | HBA: 5 | TPSA: 79.2 |
| #Bonds: 34 | #Rotatable Bonds: 3 | Shape Complexity: 0.3181818 |
| Stereocomplexity: 0.0 | ||