|
Ligand Download |
||
 | ||
| Ligand Name: ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE | ||
| HET ID: R17 | PubChem: 447559 | |
| DrugBank: DB03771 | ChEMBL: CHEMBL65553 | |
| Canonical SMILES: C=CCN(C/C=C/COc1ccc2c(c1)occ2c1ccc(cc1)Br)C | ||
| Standard InChI: InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+ | ||
| Molecular Formula: C22H22BrNO2 | Mol. Weight: 412.31958 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 5.9151 |
| HBD: 0 | HBA: 3 | TPSA: 25.61 |
| #Bonds: 28 | #Rotatable Bonds: 8 | Shape Complexity: 0.18181819 |
| Stereocomplexity: 0.0 | ||