General Information of the Compound
| Compound ID |
CP0405663
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 380
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F8N8
|
||||||||||||||||||
| Molecular Weight |
532.399
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cncc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F8N8/c22-19(23)8-18(9-19)4-11(5-18)33-17-36-15(12-6-30-7-14(34-12)21(27,28)29)35-16(37-17)32-10-1-2-31-13(3-10)20(24,25)26/h1-3,6-7,11H,4-5,8-9H2,(H2,31,32,33,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQNYKCNMQIBEFQ-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
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial