General Information of the Compound
| Compound ID |
CP0893869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-Chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(1-methylethoxy)-3-pyridinecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25ClN2O3
|
||||||||||||||||||
| Molecular Weight |
388.895
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClN2O3/c1-13(2)27-21-17(14-7-9-16(22)10-8-14)11-15(12-23-21)20(26)24-18-5-3-4-6-19(18)25/h7-13,18-19,25H,3-6H2,1-2H3,(H,24,26)/t18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDZDVJUAYQJHQD-RTBURBONSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2