General Information of the Compound
| Compound ID |
CP0391637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9862730, Example 127
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H10N4O2S
|
||||||||||||||||||
| Molecular Weight |
286.316
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1nc2cc(C)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10N4O2S/c1-7-3-4-10-8(5-7)14-11(19-10)9-6-17-12(15-9)20-13(16-17)18-2/h3-6H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKCYXTJAFZUDBY-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