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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310957
CHEMBL3310957
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N2O4

Additional synonyms for CHEMBL3310957 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=N\NC(=O)OCc2ccccc2)cc1O
Standard InChI InChI=1S/C15H14N2O4/c18-13-7-6-12(8-14(13)19)9-16-17-15(20)2 ...
Download InChI
Standard InChI Key GPEKKPRYHGWHPP-CXUHLZMHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310957

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 2.36 4 91.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.1 - 2.33 2.29 2 21 0.46

Structural Alerts

There are 9 structural alerts for CHEMBL3310957. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GPEKKPRYHGWHPP-CXUHLZMHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310957



ZINC ZINC000299836424

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