Ligand |
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| Ligand Name: 4-[10-(9-azanyl-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{H}-cyclopenta[b]quinolin-9-amine | ||
| HET ID: QOJ | PubChem: 135392023 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Nc1c2CCCc2[n+](c2c1cccc2)CCCCCCCCCC[n+]1c2CCCc2c(c2c1cccc2)N | ||
| Standard InChI: InChI=1S/C34H42N4/c35-33-25-15-7-9-19-29(25)37(31-21-13-17-27(31)33)23-11-5-3-1-2-4-6-12-24-38-30-20-10-8-16-26(30)34(36)28-18-14-22-32(28)38/h7-10,15-16,19-20,35-36H,1-6,11-14,17-18,21-24H2/p+2 | ||
| Molecular Formula: C34H44N4++ | Mol. Weight: 508.73996 | Heavy Atoms: 38 |
| Charge: 2 | Is Chiral: False | logP: 7.6932 |
| HBD: 2 | HBA: 2 | TPSA: 59.8 |
| #Bonds: 43 | #Rotatable Bonds: 11 | Shape Complexity: 0.47058824 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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