General Information of the Compound
| Compound ID |
CP0074398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(5R,6R)-3-amino-6-fluoro-5-methyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClF5N5O2
|
||||||||||||||||||
| Molecular Weight |
449.767
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)CO[C@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClF5N5O2/c1-15(16(20,17(21,22)23)30-7-13(24)28-15)9-4-8(2-3-10(9)19)27-14(29)11-5-26-12(18)6-25-11/h2-6H,7H2,1H3,(H2,24,28)(H,27,29)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIPPQVKFNKABNR-CVEARBPZSA-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