General Information of the Compound
| Compound ID |
CP0435308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
389.326
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCCc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl2N2O/c22-17-9-10-18(23)16(13-17)14-24-11-4-8-20(24)21(26)25-12-3-6-15-5-1-2-7-19(15)25/h1-2,5,7,9-10,13,20H,3-4,6,8,11-12,14H2/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXYUSHFILCLGOS-FQEVSTJZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1