General Information of the Compound
| Compound ID |
CP0465838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 693
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21BrN2O2S2
|
||||||||||||||||||
| Molecular Weight |
465.438
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc(cc1)S(=O)(=O)N(CCC1CC1)c1sc2ccccc2c1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21BrN2O2S2/c1-22-15-8-10-16(11-9-15)27(24,25)23(13-12-14-6-7-14)20-19(21)17-4-2-3-5-18(17)26-20/h2-5,8-11,14,22H,6-7,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZETRHEAXHIPWEU-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