General Information of the Compound
| Compound ID |
CP0478181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012443, 25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16ClN5O2S2
|
||||||||||||||||||
| Molecular Weight |
481.99
|
||||||||||||||||||
| Canonical SMILES |
Cn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16ClN5O2S2/c1-28-21(9-10-25-28)20-12-15(23)5-7-19(20)18-4-2-3-14-11-16(6-8-17(14)18)32(29,30)27-22-24-13-26-31-22/h2-13H,1H3,(H,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDHMFRCHYGEPET-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