6-bromo-3-chloro-1H-indole
AlkaPlorer ID: AK017099
Synonym: None
IUPAC Name: 6-bromo-3-chloro-1H-indole
Structure
SMILES: ClC1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C8H5BrClN/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-4,11H
InChIKey: HNAPHNHPMKKVKB-UHFFFAOYSA-N
Reference
3-chloroindole, principal odorous constituent of the hemichordatePtychodera flava laysanica
PubChem CID: 12269921
CAS: 57916-08-2
LOTUS: LTS0053714
COCONUT: CNP0400940
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ptychodera flava | Ptychodera | Ptychoderidae | None | Enteropneusta | Hemichordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 230.492
TPSA？: 15.79
MolLogP？: 3.583800000000001
Number of H-Donors: 1
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MDA-MB-231 | IC50 | 73000.0 | nM | 10.1021/acs.jnatprod.2c00987 |