Ligand |
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| Ligand Name: 3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{H}-indole-5-carbonitrile | ||
| HET ID: 70M | PubChem: 131801398 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: N#Cc1ccc(cc1)N1CCN(CC1)CCCCc1c[nH]c2c1cc(C#N)c(c2)O | ||
| Standard InChI: InChI=1S/C24H25N5O/c25-15-18-4-6-21(7-5-18)29-11-9-28(10-12-29)8-2-1-3-19-17-27-23-14-24(30)20(16-26)13-22(19)23/h4-7,13-14,17,27,30H,1-3,8-12H2 | ||
| Molecular Formula: C24H25N5O | Mol. Weight: 399.4882 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: False | logP: 3.76466 |
| HBD: 2 | HBA: 5 | TPSA: 90.08 |
| #Bonds: 34 | #Rotatable Bonds: 6 | Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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