General Information of the Compound
| Compound ID |
CP0352158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-(1H-benzimidazol-2-yl)-3-(3-chlorophenyl)-1-phenyl-2-propen-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15ClN2O
|
||||||||||||||||||
| Molecular Weight |
358.828
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(\C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15ClN2O/c23-17-10-6-7-15(13-17)14-18(21(26)16-8-2-1-3-9-16)22-24-19-11-4-5-12-20(19)25-22/h1-14H,(H,24,25)/b18-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFXBECUFRBOWLA-JXAWBTAJSA-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