Ligand |
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| Ligand Name: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM | ||
| HET ID: MBT | PubChem: 4139 | |
| DrugBank: DB08167 | ChEMBL: CHEMBL191083 | |
| Canonical SMILES: CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C | ||
| Standard InChI: InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 | ||
| Molecular Formula: C16H18N3S+ | Mol. Weight: 284.39923 | Heavy Atoms: 20 |
| Charge: 1 | Is Chiral: False | logP: 3.8626 |
| HBD: 0 | HBA: 4 | TPSA: 47.61 |
| #Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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