Ligand |
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| Ligand Name: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE | ||
| HET ID: 663 | PubChem: 16750067 | |
| DrugBank: - | ChEMBL: CHEMBL1230473 | |
| Canonical SMILES: COc1cc(Cl)cc(c1NC(=O)c1scc(c1Cl)Cc1nccn1C)C(=O)Nc1ccc(cn1)Cl | ||
| Standard InChI: InChI=1S/C23H18Cl3N5O3S/c1-31-6-5-27-18(31)7-12-11-35-21(19(12)26)23(33)30-20-15(8-14(25)9-16(20)34-2)22(32)29-17-4-3-13(24)10-28-17/h3-6,8-11H,7H2,1-2H3,(H,30,33)(H,28,29,32) | ||
| Molecular Formula: C23H18Cl3N5O3S | Mol. Weight: 550.8447 | Heavy Atoms: 35 |
| Charge: 0 | Is Chiral: False | logP: 6.0868 |
| HBD: 2 | HBA: 9 | TPSA: 126.38 |
| #Bonds: 38 | #Rotatable Bonds: 9 | Shape Complexity: 0.13043478 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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