General Information of the Compound
| Compound ID |
CP0393568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 164
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F6N7
|
||||||||||||||||||
| Molecular Weight |
493.415
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Nc2nc(NC3CCC(F)(F)CC3)nc(n2)-c2cccc(n2)C(F)(F)F)cc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F6N7/c23-13-8-12(11-29)9-15(10-13)31-20-34-18(16-2-1-3-17(32-16)22(26,27)28)33-19(35-20)30-14-4-6-21(24,25)7-5-14/h1-3,8-10,14H,4-7H2,(H2,30,31,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAQUPWWEGSOPEV-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