General Information of the Compound
| Compound ID |
CP0857532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cis/trans-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-((4-(methylsulfonamidomethyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29Cl3N4O3S
|
||||||||||||||||||
| Molecular Weight |
583.969
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)NCC2CCC(CNS(C)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCUGJBBEKXFPSM-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2