[125I]L703,606   Click here for help

GtoPdb Ligand ID: 3471

Synonyms: [125I]-L703,606 | [125I]L703606
 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 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 15.27
Molecular weight 508.14
XLogP 6.42
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Ic1ccccc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2
Isomeric SMILES [125I]c1ccccc1CN[C@@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2
InChI InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1/i28-2
InChI Key WSLTYZVXORBNLB-BRXFWFLGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,3R)-2-benzhydryl-N-[(2-iodanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Synonyms Click here for help
[125I]-L703,606 | [125I]L703606
Database Links Click here for help
ChEMBL Ligand CHEMBL1628576
GtoPdb PubChem SID 53801063
PubChem CID 53326807
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