General Information of the Compound
| Compound ID |
CP0551242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,4S)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-pyridin-4-ylcyclohexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2O2
|
||||||||||||||||||
| Molecular Weight |
352.478
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](C[C@H]1C)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O2/c1-15-13-19(17-9-11-23-12-10-17)7-8-21(15)22(25)24-16(2)18-5-4-6-20(14-18)26-3/h4-6,9-12,14-16,19,21H,7-8,13H2,1-3H3,(H,24,25)/t15-,16-,19+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMILURVWXSNJDE-IIZJSDIPSA-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
Protein ID: PT01258, cGMP-dependent protein kinase 1
Protein ID: PT00890, Rho-associated protein kinase 2