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Ligand Download |
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| Ligand Name: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile | ||
| HET ID: O1H | PubChem: 146020618 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#Cc1ccc(cc1)Cn1nccc1c1cc(Cl)c2c(c1)n(nn2)c1ccc2c(c1)[nH]nc2 | ||
| Standard InChI: InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29) | ||
| Molecular Formula: C24H15ClN8 | Mol. Weight: 450.8825 | Heavy Atoms: 33 |
| Charge: 0 | Is Chiral: False | logP: 4.73368 |
| HBD: 1 | HBA: 7 | TPSA: 101.0 |
| #Bonds: 39 | #Rotatable Bonds: 4 | Shape Complexity: 0.04347826 |
| Stereocomplexity: 0.0 | ||