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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2163923
CHEMBL2163923
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H32O7S

Additional synonyms for CHEMBL2163923 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(OCCCS(=O)(=O)C)cc(C)c1c2cccc(COc3ccc4C(CC(=O)O)COc4c3) ...
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Standard InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2 ...
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Standard InChI Key BZCALJIHZVNMGJ-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL2163923. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL2163923

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
524.6 524.1869 5.09 11 107.51 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.78 5.44 2.03 .12 3 37 0.35

Compound Cross References

ChemSpider ChemSpider:BZCALJIHZVNMGJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2163923



PubChem 71460547
SureChEMBL SCHEMBL16448782

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