General Information of the Compound
| Compound ID |
CP0560765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 139
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N3O2S
|
||||||||||||||||||
| Molecular Weight |
311.366
|
||||||||||||||||||
| Canonical SMILES |
CC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N3O2S/c1-9-7-12(18-19-15(9)20)10-4-5-11-13(8-10)21-16(17-11)14-3-2-6-22-14/h2-6,8-9H,7H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEMXBBIEHRYMTE-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