General Information of the Compound
| Compound ID |
CP0506593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Butyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-5,5-dimethyl-1,5-dihydro-imidazol-4one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25Cl3N4O
|
||||||||||||||||||
| Molecular Weight |
503.861
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25Cl3N4O/c1-5-6-13-31-23(29-24(33)25(31,3)4)21-15(2)22(16-7-9-17(26)10-8-16)32(30-21)20-12-11-18(27)14-19(20)28/h7-12,14H,5-6,13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNFLGYVGKKWDGH-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