General Information of the Compound
| Compound ID |
CP0422158
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N5
|
||||||||||||||||||
| Molecular Weight |
331.423
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2CCN(CC2)c2ccc(cc2)C#N)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N5/c1-23-19-5-3-2-4-18(19)22-20(23)15-24-10-12-25(13-11-24)17-8-6-16(14-21)7-9-17/h2-9H,10-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVOIUKJJGVEDAQ-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