[3H]U69593   Click here for help

GtoPdb Ligand ID: 1656

Synonyms: [3H]-U69593
 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 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 32.78
Molecular weight 356.25
XLogP 3.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccccc1
Isomeric SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1
InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
InChI Key PGZRDDYTKFZSFR-ONTIZHBOSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Synonyms Click here for help
[3H]-U69593
Database Links Click here for help
ChEMBL Ligand CHEMBL440765
GtoPdb PubChem SID 135651213
PubChem CID 105104
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Wikipedia U-69,593