General Information of the Compound
| Compound ID |
CP0533304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chlorophenyl)-3-[2-[3-(dimethylamino)phenyl]ethyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20ClN3O
|
||||||||||||||||||
| Molecular Weight |
317.82
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20ClN3O/c1-21(2)16-5-3-4-13(12-16)10-11-19-17(22)20-15-8-6-14(18)7-9-15/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORPIGBGHQIBPCH-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 | |||||||||||||||||||
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