General Information of the Compound
| Compound ID |
CP0559826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H12F5N5OS
|
||||||||||||||||||
| Molecular Weight |
477.418
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c(F)c1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H12F5N5OS/c22-14-6-5-13(18(23)17(14)21(24,25)26)15-9-33-20(30-15)31-19(32)11-1-3-12(4-2-11)29-16-7-8-27-10-28-16/h1-10H,(H,27,28,29)(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYIXSYVLTFSTAU-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