General Information of the Compound
| Compound ID |
CP0365700
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(azetidin-1-yl)pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F4N6O2
|
||||||||||||||||||
| Molecular Weight |
452.412
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)N2CCC2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F4N6O2/c1-19(18(20(22,23)24)32-10-15(25)29-19)12-7-11(3-4-13(12)21)28-17(31)14-8-27-16(9-26-14)30-5-2-6-30/h3-4,7-9,18H,2,5-6,10H2,1H3,(H2,25,29)(H,28,31)/t18-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQRSXZZTAADKFM-RTBURBONSA-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