General Information of the Compound
| Compound ID |
CP0436689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(3-Chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl]-5-fluoro-benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H11ClFN3O
|
||||||||||||||||||
| Molecular Weight |
363.779
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(-c3cccc(Cl)c3)c2c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H11ClFN3O/c21-15-2-1-3-17(10-15)25-19-9-13(4-5-18(19)24-20(25)26)14-6-12(11-23)7-16(22)8-14/h1-10H,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AARQZZRJSTWJNF-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