General Information of the Compound
| Compound ID |
CP0372217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyrrolidin-1-yl)-1H-pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17Cl3N4OS
|
||||||||||||||||||
| Molecular Weight |
455.798
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCPLUKDORVRLOM-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