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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783040
CHEMBL1783040
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H35NO5S

Additional synonyms for CHEMBL1783040 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC ...
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Standard InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25) ...
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Standard InChI Key QZUYYCLWMJYSQX-LJAQVGFWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783040

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
533.7 533.2236 7.5 13 73.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.97 - 8.8 7.46 3 38 0.23

Structural Alerts

There are 3 structural alerts for CHEMBL1783040. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QZUYYCLWMJYSQX-LJAQVGFWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783040



PubChem 54585193
ZINC ZINC000013537365

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