General Information of the Compound
| Compound ID |
CP0453827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25ClF2N4O2
|
||||||||||||||||||
| Molecular Weight |
498.961
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25ClF2N4O2/c1-15-5-6-16(2)32(15)26-17(3)24(31-33(26)22-9-8-19(28)14-21(22)29)25(34)30-12-11-18-7-10-23(35-4)20(27)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAKMSSOVIHZPJK-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