General Information of the Compound
| Compound ID |
CP0406646
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-chloro-3-methoxyphenyl)-7-(fluoromethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23Cl2F3N2OS
|
||||||||||||||||||
| Molecular Weight |
563.472
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Cl)C1(CF)CCCc2nc(SCc3c(F)cccc3Cl)n(c12)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23Cl2F3N2OS/c1-36-25-14-17(7-12-22(25)30)28(16-31)13-3-6-24-26(28)35(19-10-8-18(32)9-11-19)27(34-24)37-15-20-21(29)4-2-5-23(20)33/h2,4-5,7-12,14H,3,6,13,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOCNXIMGJUAVSX-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