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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1969663
CHEMBL1969663
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14O3S2

Additional synonyms for CHEMBL1969663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=S(\C=C\C=C\S(=O)(=O)c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C16H14O3S2/c17-20(15-9-3-1-4-10-15)13-7-8-14-21(18, ...
Download InChI
Standard InChI Key MMGHXXHLNDNLNB-FNCQTZNRSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1969663

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
318.4 318.0384 3.3 5 51.21 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.52 1.52 2 21 0.79

Structural Alerts

There are 6 structural alerts for CHEMBL1969663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MMGHXXHLNDNLNB-FNCQTZNRSA-N
PubChem SID: 510081

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1969663



PubChem 5468034

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