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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302649
CHEMBL302649
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15NO3

Additional synonyms for CHEMBL302649 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c2ccccc2
Standard InChI InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11 ...
Download InChI
Standard InChI Key NPKISZUVEBESJI-CQSZACIVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302649

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
269.3 269.1052 2.56 5 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.81 - 1.7 -1.74 2 20 0.88

Structural Alerts

There are no structural alerts for CHEMBL302649

Compound Cross References

ChemSpider ChemSpider:NPKISZUVEBESJI-CQSZACIVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302649



ACToR 2566-22-5
Brenda 96851 43811
ChEBI 90413
EPA CompTox Dashboard DTXSID60352239
IBM Patent System C6526C55960776104B69204DC3B78CFD
Mcule MCULE-8732808375
MolPort MolPort-008-267-343
Nikkaji J231.704D
PubChem 721472
PubChem: Thomson Pharma 14893118
SureChEMBL SCHEMBL528464
ZINC ZINC000000124018

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