General Information of the Compound
| Compound ID |
CP0446217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10946023, Compound 229
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F5N8
|
||||||||||||||||||
| Molecular Weight |
528.489
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C2(CC2)C#N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F5N8/c26-24(27)11-22(12-24)9-15(10-22)34-21-37-19(16-2-1-3-17(35-16)25(28,29)30)36-20(38-21)33-14-4-7-32-18(8-14)23(13-31)5-6-23/h1-4,7-8,15H,5-6,9-12H2,(H2,32,33,34,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQVWKEOJLWNAAS-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial