NSC 780521   Click here for help

GtoPdb Ligand ID: 9933

Synonyms: compound 521 [PMID: 28709950] | NSC-780521 | NSC780521
Compound class: Synthetic organic
Comment: NSC 780521 is an experimental DUOX2-selective inhibitor [1]. It shows anti-proliferative activity against NOX-driven tumour cells. The compound is delivered as a bromide salt in a 1:1 ratio.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 86.28
Molecular weight 368.94
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]
Isomeric SMILES [O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]
InChI InChI=1S/C12H6IN2O4/c16-14(17)9-5-1-3-7-11(9)12-8(13-7)4-2-6-10(12)15(18)19/h1-6H/q-1
InChI Key NBIXKUWRZRFYBQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,9-dinitro-dibenziodolium
Synonyms Click here for help
compound 521 [PMID: 28709950] | NSC-780521 | NSC780521
Database Links Click here for help
GtoPdb PubChem SID 363894227
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UniChem Connectivity Search for chemical match using the InChIKey NBIXKUWRZRFYBQ-UHFFFAOYSA-N