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Ligand Download |
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| Ligand Name: (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine | ||
| HET ID: 5EH | PubChem: 667477 | |
| DrugBank: DB01142 | ChEMBL: CHEMBL860 | |
| Canonical SMILES: CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 | ||
| Standard InChI: InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ | ||
| Molecular Formula: C19H21NO | Mol. Weight: 279.37613 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: False | logP: 3.9624 |
| HBD: 0 | HBA: 2 | TPSA: 12.47 |
| #Bonds: 23 | #Rotatable Bonds: 3 | Shape Complexity: 0.2631579 |
| Stereocomplexity: 0.0 | ||