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Ligand Download |
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| Ligand Name: N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE | ||
| HET ID: R46 | PubChem: 445991 | |
| DrugBank: - | ChEMBL: CHEMBL294809 | |
| Canonical SMILES: C=CCN(CCCCCCOc1ccc(cc1)c1nsc2c1ccc(c2)Br)C | ||
| Standard InChI: InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3 | ||
| Molecular Formula: C23H27BrN2OS | Mol. Weight: 459.4423 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: False | logP: 6.7828 |
| HBD: 0 | HBA: 4 | TPSA: 53.6 |
| #Bonds: 30 | #Rotatable Bonds: 11 | Shape Complexity: 0.3478261 |
| Stereocomplexity: 0.0 | ||