[125I]SD6   Click here for help

GtoPdb Ligand ID: 7770

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: [125I]-SD6 is a radio-labelled, non-selective melatonin receptor ligand.
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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 6
Topological polar surface area 54.12
Molecular weight 358.02
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(CCNC(=O)CI)c[nH]c2cc1
Isomeric SMILES COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1
InChI InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2
InChI Key BCFPPJOYYKSYLA-XSBOKVBDSA-N
Classification Click here for help
Compound class Synthetic organic
Database Links Click here for help
GtoPdb PubChem SID 223366103
PubChem CID 86277836
Search Google for chemical match using the InChIKey BCFPPJOYYKSYLA-XSBOKVBDSA-N
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UniChem Compound Search for chemical match using the InChIKey BCFPPJOYYKSYLA-XSBOKVBDSA-N
UniChem Connectivity Search for chemical match using the InChIKey BCFPPJOYYKSYLA-XSBOKVBDSA-N