WJYK50   Click here for help

GtoPdb Ligand ID: 10639

Synonyms: compound 1c [PMID: 29649738]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: WJYK50 is an inhibitor of acid sphingomyelinase (ASM; SMPD1) [1]. It produces anti-apoptosis and anti-inflammatory effects in vitro.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 67.79
Molecular weight 323.21
XLogP 5.32
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO
Isomeric SMILES CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO
InChI InChI=1S/C18H29NO4/c1-3-4-5-6-7-8-9-10-13-23-17-14-15(18(20)19-21)11-12-16(17)22-2/h11-12,14,21H,3-10,13H2,1-2H3,(H,19,20)
InChI Key QKPYTKNEFFAFOV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(Decyloxy)-N-hydroxy-4-methoxybenzamide
Synonyms Click here for help
compound 1c [PMID: 29649738]
Database Links Click here for help
GtoPdb PubChem SID 404859086
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