General Information of the Compound
| Compound ID |
CP0531473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434711, 244
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18BrNO4S2
|
||||||||||||||||||
| Molecular Weight |
468.394
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H](C)CN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18BrNO4S2/c1-13(19(22)25-2)12-21(27(23,24)14-8-4-3-5-9-14)18-17(20)15-10-6-7-11-16(15)26-18/h3-11,13H,12H2,1-2H3/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBPBWQLGTJVCJQ-ZDUSSCGKSA-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