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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1969288
CHEMBL1969288
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NO4

Additional synonyms for CHEMBL1969288 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(NC(=O)C2C3OC(C=C3)C2C(=O)O)cc1
Standard InChI InChI=1S/C15H15NO4/c1-8-2-4-9(5-3-8)16-14(17)12-10-6-7-11(20 ...
Download InChI
Standard InChI Key ZUTLXYKCFKCEMK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1969288

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 1.59 3 75.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.85 .78 2.57 -.74 1 20 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL1969288. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZUTLXYKCFKCEMK-UHFFFAOYSA-N
PubChem SID: 500701

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1969288



eMolecules 1432581
Mcule MCULE-1857003160
MolPort MolPort-001-028-703
Nikkaji J996.165H
PubChem 369531

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