General Information of the Compound
| Compound ID |
CP0529085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-chloro-2-nitrophenyl)-3-(3-trifluoromethylphenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9ClF3N3O3
|
||||||||||||||||||
| Molecular Weight |
359.691
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9ClF3N3O3/c15-9-4-5-12(21(23)24)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H2,19,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJUARCGMMKNBAL-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