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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278470
CHEMBL278470
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13ClN2O4

Additional synonyms for CHEMBL278470 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1O
Standard InChI InChI=1S/C17H13ClN2O4/c18-10-2-3-13-11(6-10)12(8-19-13)16(23 ...
Download InChI
Standard InChI Key UYJGDEQPQQGIHI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278470

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
344.8 344.0564 2.73 4 102.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.47 - 2.25 2.24 3 24 0.33

Structural Alerts

There are 8 structural alerts for CHEMBL278470. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UYJGDEQPQQGIHI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278470



PubChem 10783684
PubChem: Thomson Pharma 15822341
ZINC ZINC000013760668

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