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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783046
CHEMBL1783046
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26ClNO5S

Additional synonyms for CHEMBL1783046 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc3cccc(c3)[C@H]4SC(=O)NC4=O
Standard InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11- ...
Download InChI
Standard InChI Key BSYLKYWBLKSLBJ-RUZDIDTESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783046

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
512 511.122 6.96 11 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 - 7.64 6.3 3 35 0.28

Structural Alerts

There are 3 structural alerts for CHEMBL1783046. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BSYLKYWBLKSLBJ-RUZDIDTESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783046



PubChem 54585195
ZINC ZINC000003817161

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