General Information of the Compound
| Compound ID |
CP0386302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-bromophenyl)sulfonylindole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10BrNO4S
|
||||||||||||||||||
| Molecular Weight |
380.219
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVJMLPMDLUIKOZ-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