 |
| Ligand Name:
(3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine |
| HET ID: LQD |
PubChem:
124037093
|
| DrugBank: - |
ChEMBL: CHEMBL4074159 |
| Canonical SMILES: COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(c2c1cccc2)C)N(C)C |
| Standard InChI: InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 |
| Molecular Formula: C23H29N3O |
Mol. Weight: 363.49585 |
Heavy Atoms: 27 |
| Charge: 0 |
Is Chiral: True |
logP: 3.6544 |
| HBD: 0 |
HBA: 4 |
TPSA: 20.64 |
| #Bonds: 32 |
#Rotatable Bonds: 5 |
Shape Complexity: 0.39130434 |
| Stereocomplexity: 0.08695652 |
Ligand Type: Small Molecule |