General Information of the Compound
| Compound ID |
CP0456944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-aminopyrazin-2-yl)-2-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11ClF2N4O2S
|
||||||||||||||||||
| Molecular Weight |
396.806
|
||||||||||||||||||
| Canonical SMILES |
Nc1cnc(cn1)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClF2N4O2S/c17-10-5-4-9(13-7-22-15(20)8-21-13)6-14(10)26(24,25)23-12-3-1-2-11(18)16(12)19/h1-8,23H,(H2,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKBWCIDORZJJTG-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