General Information of the Compound
| Compound ID |
CP0385359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23Cl3N4O3S
|
||||||||||||||||||
| Molecular Weight |
541.888
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23Cl3N4O3S/c1-14-21(23(31)27-18-4-3-11-29(13-18)34(2,32)33)28-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,27,31)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNILIMBZHPQFHO-SFHVURJKSA-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