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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL87872
CHEMBL87872
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25NO4

Additional synonyms for CHEMBL87872 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CCC\C(=C\Cc1cccc2c(c[nH]c12)C3=C(O)C(=CC(=O)C3=O)O)\C)C
Standard InChI InChI=1S/C24H25NO4/c1-14(2)6-4-7-15(3)10-11-16-8-5-9-17-18(1 ...
Download InChI
Standard InChI Key YYFCDZBIVJUBDR-XNTDXEJSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL87872

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
391.5 391.1784 5.27 6 90.39 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 5 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 6.69 3.67 2 29 0.36

Structural Alerts

There are 8 structural alerts for CHEMBL87872. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YYFCDZBIVJUBDR-XNTDXEJSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL87872



ZINC ZINC000100838393

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