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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2430503
CHEMBL2430503
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N4O2S

Additional synonyms for CHEMBL2430503 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)NCCc2ccccc2
Standard InChI InChI=1S/C14H14N4O2S/c15-18-17-13-6-8-14(9-7-13)21(19,20)16- ...
Download InChI
Standard InChI Key JBDAZSBZQDJHCS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2430503

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
302.4 302.0837 3.15 6 94.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.35 - 3.56 3.56 2 21 0.5

Structural Alerts

There are 12 structural alerts for CHEMBL2430503. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JBDAZSBZQDJHCS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2430503



PubChem 73350881
ZINC ZINC000096933867

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