General Information of the Compound
| Compound ID |
CP0446216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 198
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24F2N6
|
||||||||||||||||||
| Molecular Weight |
374.439
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)F)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24F2N6/c1-10(12-6-7-12)22-18-25-17(15-5-3-4-14(24-15)16(20)21)26-19(27-18)23-11(2)13-8-9-13/h3-5,10-13,16H,6-9H2,1-2H3,(H2,22,23,25,26,27)/t10-,11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHIIKMKNLSEDJI-GHMZBOCLSA-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