General Information of the Compound
| Compound ID |
CP0445095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[3-[6-(diethylamino)pyridin-2-yl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
394.906
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1cccc(n1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN4O/c1-3-27(4-2)21-10-6-9-20(26-21)16-7-5-8-19(15-16)25-22(28)24-18-13-11-17(23)12-14-18/h5-15H,3-4H2,1-2H3,(H2,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZGFQISGJISWSQ-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