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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783048
CHEMBL1783048
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H33NO4S

Additional synonyms for CHEMBL1783048 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(ccc1OCCCOc2cccc(c2)[C@H]3SC(=O)NC3=O)C4CCCCC4
Standard InChI InChI=1S/C27H33NO4S/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-2 ...
Download InChI
Standard InChI Key AGIZWZHGBUGOHX-RUZDIDTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783048

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
467.6 467.213 6.56 10 64.63 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 7.32 5.97 2 33 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL1783048. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AGIZWZHGBUGOHX-RUZDIDTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783048



PubChem 54586153
ZINC ZINC000012358513

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