General Information of the Compound
| Compound ID |
CP0577538
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[(1-benzyl-5-ethylbenzimidazol-2-yl)amino]methyl]furan-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N4O
|
||||||||||||||||||
| Molecular Weight |
356.429
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc2n(Cc3ccccc3)c(NCc3ccc(o3)C#N)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N4O/c1-2-16-8-11-21-20(12-16)25-22(24-14-19-10-9-18(13-23)27-19)26(21)15-17-6-4-3-5-7-17/h3-12H,2,14-15H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNWUTINXMLGHRR-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 | |||||||||||||||||||
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