General Information of the Compound
| Compound ID |
CP0375648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
428.435
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFNKOHYICHFZDD-ZHZULCJRSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3