General Information of the Compound
| Compound ID |
CP0117464
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614253, 36-8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15NO2S2
|
||||||||||||||||||
| Molecular Weight |
293.413
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(C2NCCS2)c1O)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15NO2S2/c1-17-11-8-9(12-3-2-5-18-12)7-10(13(11)16)14-15-4-6-19-14/h2-3,5,7-8,14-16H,4,6H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPLWICNVGMBXDY-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