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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1783055
CHEMBL1783055
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H28ClNO5S

Additional synonyms for CHEMBL1783055 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc3cccc(c3)[C@@H]4SC(=O)NC4 ...
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Standard InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2) ...
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Standard InChI Key RHXBMPROSWDTQC-SANMLTNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1783055

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
526.1 525.1377 7.27 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 - 8.52 7.18 3 36 0.27

Structural Alerts

There are 3 structural alerts for CHEMBL1783055. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RHXBMPROSWDTQC-SANMLTNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1783055



PubChem 54580272
ZINC ZINC000012358497

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