128351-86-0
AlkaPlorer ID: AK038927
Synonym: None
IUPAC Name: 4,5,6-tribromo-2,3-bis(methylsulfanyl)-1H-indole
Structure
SMILES: CSC1=C(SC)C2=C(Br)C(Br)=C(Br)C=C2N1
InChI: InChI=1S/C10H8Br3NS2/c1-15-9-6-5(14-10(9)16-2)3-4(11)7(12)8(6)13/h3,14H,1-2H3
InChIKey: KHYRMWFKXMLZCD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 446.027
TPSA？: 15.79
MolLogP？: 5.899200000000001
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 | HT-29 | Activity | nan | None | 10.1021/np058001y |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np058001y |
| Mus musculus | RAW264.7 | Activity | 1.6 | % | 10.1016/j.ejmech.2021.113165 |
| Mus musculus | RAW264.7 | Activity | 2.8 | % | 10.1016/j.ejmech.2021.113165 |