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Ligand Download |
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| Ligand Name: 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid | ||
| HET ID: 9ZY | PubChem: 1308046 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=c1cc(C)c2c(o1)n(nc2c1ccccc1)c1ccc(c(c1)C(=O)O)Cl | ||
| Standard InChI: InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26) | ||
| Molecular Formula: C20H13ClN2O4 | Mol. Weight: 380.78122 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: False | logP: 4.3057 |
| HBD: 1 | HBA: 6 | TPSA: 85.33 |
| #Bonds: 30 | #Rotatable Bonds: 3 | Shape Complexity: 0.05 |
| Stereocomplexity: 0.0 | ||