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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037183
CHEMBL2037183
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H27NO5S

Additional synonyms for CHEMBL2037183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(ccc1OCCCOc2cccc(c2)[C@@H]3SC(=O)NC3=O)C(=O)c4ccccc4
Standard InChI InChI=1S/C28H27NO5S/c1-2-8-20-17-21(25(30)19-9-4-3-5-10-19)1 ...
Download InChI
Standard InChI Key OZZBRLWUSGYQBE-SANMLTNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037183

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
489.6 489.161 5.74 11 81.7 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 - 5.9 4.55 3 35 0.27

Structural Alerts

There are 4 structural alerts for CHEMBL2037183. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZZBRLWUSGYQBE-SANMLTNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037183



PubChem 70694429
ZINC ZINC000012358502

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