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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL118371
CHEMBL118371
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N2O4

Additional synonyms for CHEMBL118371 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)OC1CCc2c1[nH]c3C(=O)C(=CC(=O)c23)N4CC4
Standard InChI InChI=1S/C15H14N2O4/c1-7(18)21-11-3-2-8-12-10(19)6-9(17-4-5- ...
Download InChI
Standard InChI Key NLRQPAAVAARJLS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL118371

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
286.3 286.0954 1.14 2 79.24 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.56 .41 2.35 2.35 1 21 0.65

Structural Alerts

There are 16 structural alerts for CHEMBL118371. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NLRQPAAVAARJLS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL118371



Nikkaji J1.637.085A
PubChem 10957086
PubChem: Thomson Pharma 16011847

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