128351-82-6
AlkaPlorer ID: AK038881
Synonym: None
IUPAC Name: 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole
Structure
SMILES: CSC1=C(C2=C(SC)NC3=CC(Br)=CC(Br)=C23)C2=C(Br)C=C(Br)C=C2N1
InChI: InChI=1S/C18H12Br4N2S2/c1-25-17-15(13-9(21)3-7(19)5-11(13)23-17)16-14-10(22)4-8(20)6-12(14)24-18(16)26-2/h3-6,23-24H,1-2H3
InChIKey: QNTLNHPFWSOPFW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 640.058
TPSA？: 31.58
MolLogP？: 8.809999999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
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 |