General Information of the Compound
| Compound ID |
CP0577098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[(3R,6S)-5-amino-6-(difluoromethyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoropyridin-2-yl]-5-cyanopyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17F3N6O3S
|
||||||||||||||||||
| Molecular Weight |
466.445
|
||||||||||||||||||
| Canonical SMILES |
C[C@]1(CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17F3N6O3S/c1-18(9-32(30,31)19(2,16(21)22)17(24)28-18)14-11(20)4-6-13(26-14)27-15(29)12-5-3-10(7-23)8-25-12/h3-6,8,16H,9H2,1-2H3,(H2,24,28)(H,26,27,29)/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTJCZTUJQZPFNJ-RBUKOAKNSA-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