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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201183
CHEMBL201183
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19NO6S

Additional synonyms for CHEMBL201183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1S(=O)(=O)c3ccccc3
Standard InChI InChI=1S/C19H19NO6S/c1-4-26-19(21)17-18(27(22,23)12-8-6-5-7- ...
Download InChI
Standard InChI Key DFCUYKHPYGZWOB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201183

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
389.4 389.0933 3.19 6 94.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.29 - 1.7 1.7 3 27 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL201183. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFCUYKHPYGZWOB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201183



PubChem 11718051
PubChem: Thomson Pharma 16823096
ZINC ZINC000013680337

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