128351-84-8
AlkaPlorer ID: AK038909
Synonym: None
IUPAC Name: 2,4,5,6-tetrabromo-3-methylsulfanyl-1H-indole
Structure
SMILES: CSC1=C(Br)NC2=CC(Br)=C(Br)C(Br)=C12
InChI: InChI=1S/C9H5Br4NS/c1-15-8-5-4(14-9(8)13)2-3(10)6(11)7(5)12/h2,14H,1H3
InChIKey: DXKZUNOMDOVWPE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 478.82900000000006
TPSA？: 15.79
MolLogP？: 5.939800000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | Activity | None | None | 10.1021/np058001y |
| Mus musculus | P388 | Activity | None | None | 10.1021/np058001y |