 |
| Ligand Name:
(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine |
| HET ID: 82G |
PubChem:
123132216
|
| DrugBank: - |
ChEMBL: CHEMBL4080018 |
| Canonical SMILES: CN([C@H]1CN(C[C@@H]1c1cn(c2c1cccc2)C)[C@H]1CCc2c1c(F)ccc2)C |
| Standard InChI: InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 |
| Molecular Formula: C24H28FN3 |
Mol. Weight: 377.49762 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: True |
logP: 4.2722 |
| HBD: 0 |
HBA: 3 |
TPSA: 11.41 |
| #Bonds: 35 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.41666666 |
| Stereocomplexity: 0.16666667 |
Ligand Type: Small Molecule |