General Information of the Compound
| Compound ID |
CP0409154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15ClF3N5O2
|
||||||||||||||||||
| Molecular Weight |
437.809
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15ClF3N5O2/c1-19(16(23)14(6-21)30-18(25)28-19)11-5-10(2-3-13(11)22)27-17(29)15-12(20)4-9(7-24)8-26-15/h2-5,8,14,16H,6H2,1H3,(H2,25,28)(H,27,29)/t14-,16+,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEEDEKNDTOQSFH-SIXWZSSISA-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