General Information of the Compound
| Compound ID |
CP0507867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6-(ethylamino)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18F4N6OS
|
||||||||||||||||||
| Molecular Weight |
502.497
|
||||||||||||||||||
| Canonical SMILES |
CCNc1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18F4N6OS/c1-2-28-18-10-19(30-12-29-18)31-14-8-6-13(7-9-14)21(34)33-22-32-17(11-35-22)15-4-3-5-16(20(15)24)23(25,26)27/h3-12H,2H2,1H3,(H,32,33,34)(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRMZWRZGFPCVLB-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