General Information of the Compound
| Compound ID |
CP0404194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClN3O
|
||||||||||||||||||
| Molecular Weight |
391.902
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(c2)N2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClN3O/c24-19-9-11-20(12-10-19)25-23(28)26-21-7-3-5-17(15-21)18-6-4-8-22(16-18)27-13-1-2-14-27/h3-12,15-16H,1-2,13-14H2,(H2,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQBURMNVAVCEAG-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