Ligand |
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| Ligand Name: CRYSTAL VIOLET | ||
| HET ID: CVI | PubChem: 3468 | |
| DrugBank: DB00406 | ChEMBL: CHEMBL459265 | |
| Canonical SMILES: C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C | ||
| Standard InChI: InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1 | ||
| Molecular Formula: C25H30N3+ | Mol. Weight: 372.5258 | Heavy Atoms: 28 |
| Charge: 1 | Is Chiral: False | logP: 4.4596 |
| HBD: 0 | HBA: 2 | TPSA: 9.49 |
| #Bonds: 30 | #Rotatable Bonds: 4 | Shape Complexity: 0.24 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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