General Information of the Compound
| Compound ID |
CP0579317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(furan-3-yl)-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H16F3N5OS
|
||||||||||||||||||
| Molecular Weight |
479.487
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2-c2ccoc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H16F3N5OS/c25-24(26,27)18-2-1-3-19(10-18)30-22-20(16-6-8-33-13-16)12-29-23(32-22)31-21-5-4-15(11-28-21)17-7-9-34-14-17/h1-14H,(H2,28,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGYNDHCZUUPUDB-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 | |||||||||||||||||||
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