General Information of the Compound
| Compound ID |
CP0455222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-6-[4-chloro-3-(2,2,2-trifluoroethylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13ClF3N5O3S
|
||||||||||||||||||
| Molecular Weight |
423.804
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)NCC(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13ClF3N5O3S/c1-20-13(24)11-12(19)21-5-9(23-11)7-2-3-8(15)10(4-7)27(25,26)22-6-14(16,17)18/h2-5,22H,6H2,1H3,(H2,19,21)(H,20,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAASLLPCCZHNAB-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