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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783031
CHEMBL1783031
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H33NO5S

Additional synonyms for CHEMBL1783031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(OC2CCCCC2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC4=O
Standard InChI InChI=1S/C27H33NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13- ...
Download InChI
Standard InChI Key GYMUSJRQCDBZCQ-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783031

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
483.6 483.2079 6.22 11 73.86 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 6.49 5.15 2 34 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL1783031. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYMUSJRQCDBZCQ-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783031



PubChem 54584227
ZINC ZINC000012358500

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