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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968338
CHEMBL1968338
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12N2O3S2

Additional synonyms for CHEMBL1968338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1sccc1S(=O)(=O)c2ccccc2)c3cccnc3
Standard InChI InChI=1S/C16H12N2O3S2/c19-15(12-5-4-9-17-11-12)18-16-14(8-10 ...
Download InChI
Standard InChI Key DDRYQSIZMLQTKY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968338

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
344.4 344.0289 3.23 4 76.13 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.18 3.09 1.55 1.55 3 23 0.79

Structural Alerts

There are no structural alerts for CHEMBL1968338

Compound Cross References

ChemSpider ChemSpider:DDRYQSIZMLQTKY-UHFFFAOYSA-N
PubChem SID: 524973

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968338



PubChem 393673
ZINC ZINC000001654684

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