General Information of the Compound
Compound ID |
CP0131741
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
6-(7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-4H-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C12H9N5O2S
|
||||||||||||||||||
Molecular Weight |
287.304
|
||||||||||||||||||
Canonical SMILES |
O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C12H9N5O2S/c18-11-4-19-10-2-1-7(3-8(10)14-11)9-5-20-12-15-13-6-17(12)16-9/h1-3,6H,4-5H2,(H,14,18)
Show/Hide
|
||||||||||||||||||
InChIKey |
IEJRHMSEVCJOEN-UHFFFAOYSA-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