|
Ligand Download |
||
 | ||
| Ligand Name: (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE | ||
| HET ID: R88 | PubChem: 445987 | |
| DrugBank: DB08458 | ChEMBL: CHEMBL62855 | |
| Canonical SMILES: CN(C1CC1)C/C=C/COc1ccc(cc1)C(=O)c1ccc(cc1)Br | ||
| Standard InChI: InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+ | ||
| Molecular Formula: C21H22BrNO2 | Mol. Weight: 400.30887 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 4.7093 |
| HBD: 0 | HBA: 3 | TPSA: 29.54 |
| #Bonds: 27 | #Rotatable Bonds: 8 | Shape Complexity: 0.2857143 |
| Stereocomplexity: 0.0 | ||