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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570903
CHEMBL1570903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14O4S

Additional synonyms for CHEMBL1570903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1
Standard InChI InChI=1S/C14H14O4S/c1-2-18-14(15)10-19(16,17)13-8-7-11-5-3-4 ...
Download InChI
Standard InChI Key YBDBZISKURRTLA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570903

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
278.3 278.0613 2.18 4 60.44 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.39 2.39 2 19 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL1570903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YBDBZISKURRTLA-UHFFFAOYSA-N
PubChem SID: 4262995

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570903



eMolecules 2261677
Mcule MCULE-8179854348
MolPort MolPort-001-587-594
PubChem 975989
ZINC ZINC000000617986

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