General Information of the Compound
| Compound ID |
CP0546699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[(5-thiophen-3-ylpyridin-2-yl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidin-5-yl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21F3N6OS
|
||||||||||||||||||
| Molecular Weight |
546.578
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21F3N6OS/c1-17(38)34-22-8-5-18(6-9-22)24-15-33-27(36-25-10-7-19(14-32-25)20-11-12-39-16-20)37-26(24)35-23-4-2-3-21(13-23)28(29,30)31/h2-16H,1H3,(H,34,38)(H2,32,33,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKADAAAFTZQKFR-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