GSK1370319A   Click here for help

GtoPdb Ligand ID: 10503

Synonyms: compound 1a [PMID: 31525963]
Compound class: Synthetic organic
Comment: GSK1370319A is a P2X7 receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.41
Molecular weight 300.04
XLogP 2.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl
Isomeric SMILES O=C([C@@H]1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl
InChI InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1
InChI Key YMNOJCVLDDTECB-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
Synonyms Click here for help
compound 1a [PMID: 31525963]
Database Links Click here for help
ChEMBL Ligand CHEMBL2218759
GtoPdb PubChem SID 387065585
PubChem CID 67461788
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