General Information of the Compound
| Compound ID |
CP0569242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24F3N5O4S
|
||||||||||||||||||
| Molecular Weight |
487.504
|
||||||||||||||||||
| Canonical SMILES |
C[C@@](O)(CNC(=O)c1nc(cnc1N)-c1ccc(CN2CCS(=O)(=O)CC2)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24F3N5O4S/c1-19(30,20(21,22)23)12-26-18(29)16-17(24)25-10-15(27-16)14-4-2-13(3-5-14)11-28-6-8-33(31,32)9-7-28/h2-5,10,30H,6-9,11-12H2,1H3,(H2,24,25)(H,26,29)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSTJJKLEFLYIHU-LJQANCHMSA-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 | |||||||||||||||||||
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