General Information of the Compound
| Compound ID |
CP0456712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(pyrimidin-4-ylamino)-N-(4-(2-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14F3N5OS
|
||||||||||||||||||
| Molecular Weight |
441.438
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14F3N5OS/c22-21(23,24)16-4-2-1-3-15(16)17-11-31-20(28-17)29-19(30)13-5-7-14(8-6-13)27-18-9-10-25-12-26-18/h1-12H,(H,25,26,27)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXLLIDCOBXEHIB-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