(S)-zacopride   Click here for help

GtoPdb Ligand ID: 2289

Compound class: Synthetic organic
Comment: One of the enantiomers in the INN-assigned racemic compound zacopride.
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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 COc1cc(N)c(cc1C(=O)N[C@@H]1CN2CCC1CC2)Cl
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
InChI Key FEROPKNOYKURCJ-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-N-[(8S)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide
International Nonproprietary Names Click here for help
INN number INN
5895 zacopride
Database Links Click here for help
BindingDB Ligand 50056419
ChEMBL Ligand CHEMBL28992
GtoPdb PubChem SID 135650429
PubChem CID 6604914
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