[3H](S)-zacopride   Click here for help

GtoPdb Ligand ID: 4074

 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 2
Rotatable bonds 4
Topological polar surface area 67.59
Molecular weight 309.12
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl
Isomeric SMILES C([3H])(Oc1cc(N)c(cc1C(=O)N[C@@H]1CN2CCC1CC2)Cl)([3H])[3H]
InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1/i1T3
InChI Key FEROPKNOYKURCJ-RYASAWMLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-(tritritiomethoxy)benzamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1628595
GtoPdb PubChem SID 178100897
PubChem CID 53321935
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