General Information of the Compound
| Compound ID |
CP0460319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[3-[6-(propylamino)pyridin-2-yl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN4O
|
||||||||||||||||||
| Molecular Weight |
380.879
|
||||||||||||||||||
| Canonical SMILES |
CCCNc1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN4O/c1-2-13-23-20-8-4-7-19(26-20)15-5-3-6-18(14-15)25-21(27)24-17-11-9-16(22)10-12-17/h3-12,14H,2,13H2,1H3,(H,23,26)(H2,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCDQBSRZFUBXDI-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