General Information of the Compound
| Compound ID |
CP0556011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N4O2
|
||||||||||||||||||
| Molecular Weight |
364.449
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CCC(=CC1)c1cc(CCO)ccc1NC(=O)c1ncc([nH]1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N4O2/c1-21(2)8-5-15(6-9-21)17-11-14(7-10-26)3-4-18(17)25-20(27)19-23-13-16(12-22)24-19/h3-5,11,13,26H,6-10H2,1-2H3,(H,23,24)(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMFAMIHAUCISAL-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