6-Bromo-1H-indole-2,3-dione
AlkaPlorer ID: AK096360
Synonym: 6-Bromoisatin
IUPAC Name: 6-bromo-1H-indole-2,3-dione
Structure
SMILES: O=C1NC2=CC(Br)=CC=C2C1=O
InChI: InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChIKey: HVPQMLZLINVIHW-UHFFFAOYSA-N
Reference
Natural Product Research in the Australian Marine Invertebrate Dicathais orbita
PubChem CID: 95716
CAS: 6326-79-0
LOTUS: LTS0099756
COCONUT: CNP0109029
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dicathais orbita | Dicathais | Muricidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 226.029
TPSA？: 46.17
MolLogP？: 1.5839
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | U-937 | IC50 | 74131.02 | nM | 10.1016/j.ejmech.2009.12.010 |
| Homo sapiens | U-937 | IC50 | 74800.0 | nM | 10.1016/j.bmc.2006.10.035 |