ARN19874   Click here for help

GtoPdb Ligand ID: 11055

Synonyms: CS-0078339 | HY-118994
Compound class: Synthetic organic
Comment: ARN19874 is an inhibitor of N-acyl phosphatidylethanolamine phospholipase D (NAPE-PLD).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 133.16
Molecular weight 394.07
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1
Isomeric SMILES O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1
InChI InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)
InChI Key OPBGIIQHYNFABO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,4-dioxo-N-(4-pyridin-4-ylphenyl)-1H-quinazoline-6-sulfonamide
Synonyms Click here for help
CS-0078339 | HY-118994
Database Links Click here for help
CAS Registry No. 2190502-57-7
GtoPdb PubChem SID 405560496
PubChem CID 139035039
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