compound 10a [PMID: 31283223]   Click here for help

GtoPdb Ligand ID: 10435

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Compound 10a is the most potent in a series of molecules designed to identify novel selective Toll-like receptor 7 (TLR7) antagonists [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 56.21
Molecular weight 240.14
XLogP 3.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCc1nn2c(c1)c(N)nc1c2cccc1
Isomeric SMILES CCCCc1nn2c(c1)c(N)nc1c2cccc1
InChI InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)
InChI Key YMNPLUINBRDMEW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-butylpyrazolo[1,5-a]quinoxalin-4-amine
Database Links Click here for help
GtoPdb PubChem SID 385612195
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