General Information of the Compound
| Compound ID |
CP0509994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-4-(pyrimidin-4-ylamino)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
439.447
|
||||||||||||||||||
| Canonical SMILES |
FC(F)Oc1ccc(cc1)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F2N5O2S/c22-20(23)30-16-7-3-13(4-8-16)17-11-31-21(27-17)28-19(29)14-1-5-15(6-2-14)26-18-9-10-24-12-25-18/h1-12,20H,(H,24,25,26)(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRPJHWUXULYYAZ-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