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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2426738
CHEMBL2426738
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO4

Additional synonyms for CHEMBL2426738 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)cc(c1)C(=O)Nc2ccc(O)cc2
Standard InChI InChI=1S/C15H15NO4/c1-19-13-7-10(8-14(9-13)20-2)15(18)16-11- ...
Download InChI
Standard InChI Key SELRVHGBBZYJFZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2426738

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
273.3 273.1001 2.66 4 67.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.9 - 2.76 2.76 2 20 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL2426738. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SELRVHGBBZYJFZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2426738



PubChem 28739380

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