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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL69549
CHEMBL69549
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15NO3

Additional synonyms for CHEMBL69549 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)C(=O)N(CC(=O)O)c2ccccc2
Standard InChI InChI=1S/C16H15NO3/c1-12-7-9-13(10-8-12)16(20)17(11-15(18)19 ...
Download InChI
Standard InChI Key MJIXDGJNKGYLPG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL69549

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 2.79 4 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.54 - 1.92 -1.73 2 20 0.93

Structural Alerts

There are no structural alerts for CHEMBL69549

Compound Cross References

ChemSpider ChemSpider:MJIXDGJNKGYLPG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL69549



BindingDB 50009992
IBM Patent System 0F61867F4F82C72B79F4F415CCF6AD86
Nikkaji J420.308I
PubChem 18415101
SureChEMBL SCHEMBL6569544
ZINC ZINC000013822458

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