General Information of the Compound
| Compound ID |
CP0495373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 807
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O4S2
|
||||||||||||||||||
| Molecular Weight |
456.549
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(nc1)-c1noc(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O4S2/c1-13-16-4-2-3-5-18(16)30-20(13)25(11-10-14-6-7-14)31(27,28)15-8-9-17(22-12-15)19-23-21(26)29-24-19/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQRHAVRPEYZBGI-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