General Information of the Compound
| Compound ID |
CP0533679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-amino-4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-2-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12ClF5N4O3S
|
||||||||||||||||||
| Molecular Weight |
494.829
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(-c2ccc(Cl)c(c2)S(=O)(=O)Nc2cccc(F)c2F)c(OCC(F)(F)F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12ClF5N4O3S/c19-11-5-4-9(10-7-26-17(25)27-16(10)31-8-18(22,23)24)6-14(11)32(29,30)28-13-3-1-2-12(20)15(13)21/h1-7,28H,8H2,(H2,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHMOOBNEQKUVCY-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform