General Information of the Compound
| Compound ID |
CP0520327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8916553, 162
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17N3O3S
|
||||||||||||||||||
| Molecular Weight |
319.386
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncnc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N3O3S/c1-10-14(8-16-9-17-10)13-6-3-11(7-15(13)21-2)18-22(19,20)12-4-5-12/h3,6-9,12,18H,4-5H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRSPITPURAGTLY-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