General Information of the Compound
| Compound ID |
CP0527980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[2-methoxy-5-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClN4O2
|
||||||||||||||||||
| Molecular Weight |
422.916
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(n1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClN4O2/c1-30-21-12-7-16(19-5-4-6-22(26-19)28-13-2-3-14-28)15-20(21)27-23(29)25-18-10-8-17(24)9-11-18/h4-12,15H,2-3,13-14H2,1H3,(H2,25,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPOLACACERSOEF-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