General Information of the Compound
Compound ID |
CP0474941
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-(3,4-dimethoxyphenyl)-2-[(2,6-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazol-4-amine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H28FN3O2S
|
||||||||||||||||||
Molecular Weight |
477.605
|
||||||||||||||||||
Canonical SMILES |
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H28FN3O2S/c1-18-7-6-8-19(2)23(18)17-34-27-29-16-26(31(27)21-11-9-20(28)10-12-21)30(3)22-13-14-24(32-4)25(15-22)33-5/h6-16H,17H2,1-5H3
Show/Hide
|
||||||||||||||||||
InChIKey |
WJRHPAULQVASLE-UHFFFAOYSA-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