General Information of the Compound
| Compound ID |
CP0202805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
495.649
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(N1CCS(=O)(=O)CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O3S/c1-25(2)9-7-18(8-10-25)21-15-19(26(3,4)31-11-13-35(33,34)14-12-31)5-6-22(21)30-24(32)23-28-17-20(16-27)29-23/h5-7,15,17H,8-14H2,1-4H3,(H,28,29)(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKYNFPUDKGPKDB-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