General Information of the Compound
| Compound ID |
CP0401786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 253
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15F5N8
|
||||||||||||||||||
| Molecular Weight |
450.375
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15F5N8/c1-10(9-25)27-16-30-15(12-4-3-5-13(29-12)19(22,23)24)31-17(32-16)28-11-6-7-26-14(8-11)18(2,20)21/h3-8,10H,1-2H3,(H2,26,27,28,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOYNKYWVGHFSIP-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