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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL41140
CHEMBL41140
Compound Name 6-NITROQUIPAZINE
ChEMBL Synonyms 6-Nitroquipazine
Max Phase 0
Trade Names
Molecular Formula C13H14N4O2

Additional synonyms for CHEMBL41140 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N3CCNCC3
Standard InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12 ...
Download InChI
Standard InChI Key GGDBEAVVGFNWIA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL41140

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
258.3 258.1117 2.03 2 73.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.44 1.81 .81 2 19 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL41140. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GGDBEAVVGFNWIA-UHFFFAOYSA-N
PubChem SID: 11111702 SID: 124881261 SID: 26755717 SID: 90340891
Wikipedia 6-Nitroquipazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL41140



ACToR 77372-73-7
BindingDB 50063266
ChEBI 104164
EPA CompTox Dashboard DTXSID7044001
FDA SRS 28M0X094BH
IBM Patent System 2D222BE572B065B708C36E3C21350594
LINCS LSM-15528
MolPort MolPort-012-658-326
PubChem 5012
PubChem: Drugs of the Future 12013256
PubChem: Thomson Pharma 15392348
SureChEMBL SCHEMBL401156
ZINC ZINC000002530705

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GGDBEAVVGFNWIA-UHFFFAOYSA-N spacer
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