General Information of the Compound
| Compound ID |
CP0572316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 442
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O4S2
|
||||||||||||||||||
| Molecular Weight |
429.523
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(cc1)-c1noc(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O4S2/c1-2-3-12-23(18-13-15-6-4-5-7-17(15)28-18)29(25,26)16-10-8-14(9-11-16)19-21-20(24)27-22-19/h4-11,13H,2-3,12H2,1H3,(H,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGGNPAVISKDBLI-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