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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3309371
CHEMBL3309371
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11N3O5S2

Additional synonyms for CHEMBL3309371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NS(=O)(=O)c1ccc(cc1)c2nonc2S(=O)(=O)c3ccccc3
Standard InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17 ...
Download InChI
Standard InChI Key UGVFRPLLRGBIPR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3309371

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
365.4 365.014 1.22 4 133.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.34 - 2.32 2.32 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL3309371

Compound Cross References

ChemSpider ChemSpider:UGVFRPLLRGBIPR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3309371



BindingDB 50050922
PubChem 118705781
ZINC ZINC000299839990

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