[125I]SCH23982   Click here for help

GtoPdb Ligand ID: 945

Synonyms: [125I]-SCH23982
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 23.47
Molecular weight 379.04
XLogP 3.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)I)O
Isomeric SMILES CN1CCc2c([C@H](C1)c1ccccc1)cc(c(c2)[125I])O
InChI InChI=1S/C17H18INO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1/i18-2
InChI Key JGBTWNOVLISURM-QFLNOARHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5R)-8-(125I)iodo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Synonyms Click here for help
[125I]-SCH23982
Database Links Click here for help
CAS Registry No. 109877-79-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1628589
GtoPdb PubChem SID 135651117
PubChem CID 119353
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