 |
| Ligand Name:
(3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline |
| HET ID: LQE |
PubChem:
137349702
|
| DrugBank: - |
ChEMBL: CHEMBL4097892 |
| Canonical SMILES: COc1cccc(c1)C[C@@H]1CN(C)[C@@H]2[C@@H](C1)Cc1c(C2)cccc1OC |
| Standard InChI: InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1 |
| Molecular Formula: C23H29NO2 |
Mol. Weight: 351.48187 |
Heavy Atoms: 26 |
| Charge: 0 |
Is Chiral: True |
logP: 3.9195 |
| HBD: 0 |
HBA: 3 |
TPSA: 21.7 |
| #Bonds: 32 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.47826087 |
| Stereocomplexity: 0.13043478 |
Ligand Type: Small Molecule |