[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
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