General Information of the Compound
| Compound ID |
CP0144740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(4R)-3-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23Cl2N3OS
|
||||||||||||||||||
| Molecular Weight |
448.419
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23Cl2N3OS/c23-16-5-8-18(24)15(11-16)12-25-14-29-13-21(25)22(28)27-10-9-26(17-6-7-17)19-3-1-2-4-20(19)27/h1-5,8,11,17,21H,6-7,9-10,12-14H2/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFJZLEQGGSAPMB-NRFANRHFSA-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT06643, Ileal sodium/bile acid cotransporter
Protein ID: PT03505, Ileal sodium/bile acid cotransporter