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Ligand Download |
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| Ligand Name: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate | ||
| HET ID: 6ZO | PubChem: 25265312 | |
| DrugBank: - | ChEMBL: CHEMBL3186509 | |
| Canonical SMILES: Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl | ||
| Standard InChI: InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29) | ||
| Molecular Formula: C22H21Cl2N3O5 | Mol. Weight: 478.32523 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: False | logP: 3.8309 |
| HBD: 1 | HBA: 7 | TPSA: 95.85 |
| #Bonds: 36 | #Rotatable Bonds: 8 | Shape Complexity: 0.3181818 |
| Stereocomplexity: 0.0 | ||