6-Cl-MLT   Click here for help

GtoPdb Ligand ID: 1346

Synonyms: 6-chloromelatonin | 6-Cl-melatonin
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 54.12
Molecular weight 266.08
XLogP 2.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl
Isomeric SMILES COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl
InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChI Key LUINDDOUWHRIPW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms Click here for help
6-chloromelatonin | 6-Cl-melatonin
Database Links Click here for help
Specialist databases
GPCRdb Ligand 6-Cl-MLT
Other databases
BindingDB Ligand 50043289
ChEBI CHEBI:146378
ChEMBL Ligand CHEMBL34730
GtoPdb PubChem SID 135649846
PubChem CID 1858
Search Google for chemical match using the InChIKey LUINDDOUWHRIPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LUINDDOUWHRIPW
UniChem Compound Search for chemical match using the InChIKey LUINDDOUWHRIPW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LUINDDOUWHRIPW-UHFFFAOYSA-N

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Tocris
6-Chloromelatonin (links to external site)
Cat. No. 0443