General Information of the Compound
| Compound ID |
CP0550978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8916553, 166
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O3S
|
||||||||||||||||||
| Molecular Weight |
356.407
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NS(=O)(=O)c2cccnc2)ccc1-c1cncnc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O3S/c1-12-16(10-19-11-20-12)15-6-5-13(8-17(15)24-2)21-25(22,23)14-4-3-7-18-9-14/h3-11,21H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSZYCVQZFCKJQR-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