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Ligand Download |
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| Ligand Name: MALACHITE GREEN | ||
| HET ID: MGR | PubChem: 11295 | |
| DrugBank: DB03895 | ChEMBL: CHEMBL1181633 | |
| Canonical SMILES: C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C | ||
| Standard InChI: InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1 | ||
| Molecular Formula: C23H25N2+ | Mol. Weight: 329.458 | Heavy Atoms: 25 |
| Charge: 1 | Is Chiral: False | logP: 4.3936 |
| HBD: 0 | HBA: 1 | TPSA: 6.25 |
| #Bonds: 27 | #Rotatable Bonds: 3 | Shape Complexity: 0.17391305 |
| Stereocomplexity: 0.0 | ||