General Information of the Compound
| Compound ID |
CP0576854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-methylsulfonylphenyl)-2-N-(5-thiophen-3-ylpyridin-2-yl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20F3N5O2S2
|
||||||||||||||||||
| Molecular Weight |
567.618
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20F3N5O2S2/c1-39(36,37)22-8-5-17(6-9-22)23-15-32-26(34-24-10-7-18(14-31-24)19-11-12-38-16-19)35-25(23)33-21-4-2-3-20(13-21)27(28,29)30/h2-16H,1H3,(H2,31,32,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGEXNSZQWMYMCU-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