4,5,6-tribromo-2-methanesulfinyl-3-(methylsulfanyl)-1H-indole
AlkaPlorer ID: AK007059
Synonym: None
IUPAC Name: 4,5,6-tribromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
Structure
SMILES: CSC1=C(S(C)=O)NC2=CC(Br)=C(Br)C(Br)=C12
InChI: InChI=1S/C10H8Br3NOS2/c1-16-9-6-5(14-10(9)17(2)15)3-4(11)7(12)8(6)13/h3,14H,1-2H3
InChIKey: LLQFIYRWIPLTTL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Laurencia brongniartii | Laurencia | Rhodomelaceae | Ceramiales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 462.02600000000007
TPSA？: 32.86
MolLogP？: 4.914700000000002
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 | None | None | 10.1021/np058001y |
| Mus musculus | P388 | Activity | None | None | 10.1021/np058001y |