General Information of the Compound
| Compound ID |
CP0495363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 680
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20BrF3N2O4S3
|
||||||||||||||||||
| Molecular Weight |
585.489
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(CCCCC(F)(F)F)c1sc2ccccc2c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20BrF3N2O4S3/c1-32(27,28)25-14-8-10-15(11-9-14)33(29,30)26(13-5-4-12-20(22,23)24)19-18(21)16-6-2-3-7-17(16)31-19/h2-3,6-11,25H,4-5,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWZIAYFCKKDSKR-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