AS3334034   Click here for help

GtoPdb Ligand ID: 11075

Compound class: Synthetic organic
Comment: Receptor-interacting Protein Kinase 2 (RIP2) inhibitor. AS3334034 may be useful in the treatment of patients with chronic kidney disease.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 105.35
Molecular weight 374.14
XLogP 3.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C
Isomeric SMILES COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C
InChI InChI=1S/C18H22N4O3S/c1-11-10-20-22-17(11)21-13-6-7-19-14-9-15(25-5)16(8-12(13)14)26(23,24)18(2,3)4/h6-10H,1-5H3,(H2,19,20,21,22)
InChI Key WCPMUQAUSFXFJE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-methoxy-6-(2-methylpropane-2-sulfonyl)-N-(4-methyl-1H-pyrazol-3-yl)quinolin-4-amine
Database Links Click here for help
GtoPdb PubChem SID 434122136
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