Ligand |
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| Ligand Name: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one | ||
| HET ID: C6H | PubChem: 134828071 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: COc1c(cc(c2c1cc[nH]2)Cl)C(=O)CCC1CCN(CC1)CC1CCCCC1 | ||
| Standard InChI: InChI=1S/C24H33ClN2O2/c1-29-24-19-9-12-26-23(19)21(25)15-20(24)22(28)8-7-17-10-13-27(14-11-17)16-18-5-3-2-4-6-18/h9,12,15,17-18,26H,2-8,10-11,13-14,16H2,1H3 | ||
| Molecular Formula: C24H33ClN2O2 | Mol. Weight: 416.984 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 6.023 |
| HBD: 1 | HBA: 3 | TPSA: 45.33 |
| #Bonds: 33 | #Rotatable Bonds: 7 | Shape Complexity: 0.625 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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