General Information of the Compound
| Compound ID |
CP0356211
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(1-methylpyrazol-4-yl)anilino]-3H-benzimidazole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N6
|
||||||||||||||||||
| Molecular Weight |
314.352
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N6/c1-24-11-14(10-20-24)13-3-5-15(6-4-13)21-18-22-16-7-2-12(9-19)8-17(16)23-18/h2-8,10-11H,1H3,(H2,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSJMTZYMCMZIQI-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