General Information of the Compound
| Compound ID |
CP0506340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-1-(2,4-difluorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27BrF2N4O4
|
||||||||||||||||||
| Molecular Weight |
589.437
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNC(=O)c2nn(c(c2C)-n2c(C)ccc2C)-c2ccc(F)cc2F)c(Br)c(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27BrF2N4O4/c1-14-7-8-15(2)33(14)27-16(3)23(32-34(27)20-10-9-18(29)12-19(20)30)26(35)31-13-17-11-21(36-4)24(37-5)25(38-6)22(17)28/h7-12H,13H2,1-6H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGADSFBSFLVVRU-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