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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293609
CHEMBL293609
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N2O5

Additional synonyms for CHEMBL293609 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NC(=O)CC1C(=O)N(C)C(=O)c2ccccc12
Standard InChI InChI=1S/C14H14N2O5/c1-16-12(18)9-6-4-3-5-8(9)10(13(16)19)7- ...
Download InChI
Standard InChI Key QGGBQYYRIRAAIK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293609

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
290.3 290.0903 0.66 2 92.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.77 - -.66 -.81 1 21 0.81

Structural Alerts

There are 3 structural alerts for CHEMBL293609. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGGBQYYRIRAAIK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293609



PubChem 10108265
PubChem: Thomson Pharma 15096808
SureChEMBL SCHEMBL9871624

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