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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324703
CHEMBL324703
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O5

Additional synonyms for CHEMBL324703 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CN(C1CCCC1)C(=O)c2ccccc2[N+](=O)[O-]
Standard InChI InChI=1S/C14H16N2O5/c17-13(18)9-15(10-5-1-2-6-10)14(19)11-7- ...
Download InChI
Standard InChI Key QLSOVPLMYSMOSO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324703

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
292.3 292.1059 2.06 5 100.75 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.66 - 2.04 -1.4 1 21 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL324703. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QLSOVPLMYSMOSO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324703



BindingDB 50020839
PubChem 44340887

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