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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783051
CHEMBL1783051
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H29NO6S

Additional synonyms for CHEMBL1783051 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC4=O
Standard InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12 ...
Download InChI
Standard InChI Key BYFIJPNXLIWWPM-SANMLTNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783051

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
507.6 507.1716 6.31 12 83.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 7 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 7.1 5.76 3 36 0.29

Structural Alerts

There are 3 structural alerts for CHEMBL1783051. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BYFIJPNXLIWWPM-SANMLTNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783051



PubChem 54586154
ZINC ZINC000012358492

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