General Information of the Compound
| Compound ID |
CP0828938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-({1-Methyl-6-[3-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl}methoxy)benzoic acid Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18ClF3N2O4
|
||||||||||||||||||
| Molecular Weight |
478.854
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(C(F)(F)F)c3)cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F3N2O4.ClH/c1-28-20-12-18(32-17-7-3-5-15(11-17)23(24,25)26)8-9-19(20)27-21(28)13-31-16-6-2-4-14(10-16)22(29)30;/h2-12H,13H2,1H3,(H,29,30);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWUJOKZDDGPAAK-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