L-703,606   Click here for help

GtoPdb Ligand ID: 2104

Synonyms: L-703606
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 Ic1ccccc1CN[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
InChI Key WSLTYZVXORBNLB-KAYWLYCHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
Synonyms Click here for help
L-703606
Database Links Click here for help
CAS Registry No. 144425-84-3 (source: Scifinder)
ChEMBL Ligand CHEMBL24999
GtoPdb PubChem SID 135650480
PubChem CID 132629
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