General Information of the Compound
| Compound ID |
CP0153352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2322336
Show/Hide
|
||||||||||||||||||
| Formula |
C19H19F3N4O2
|
||||||||||||||||||
| Molecular Weight |
392.381
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cc2cnn3c(O)cc(nc23)N2CCOCC2)cccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19F3N4O2/c1-12-13(3-2-4-15(12)19(20,21)22)9-14-11-23-26-17(27)10-16(24-18(14)26)25-5-7-28-8-6-25/h2-4,10-11,27H,5-9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIKZGRFUDYEWQW-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: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay