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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571058
CHEMBL1571058
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H11NO4

Additional synonyms for CHEMBL1571058 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(nc2ccccc12)c3ccc4OCOc4c3
Standard InChI InChI=1S/C17H11NO4/c19-17(20)12-8-14(18-13-4-2-1-3-11(12)13) ...
Download InChI
Standard InChI Key HPOVLKMMKKJBON-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1571058

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
293.3 293.0688 3.33 2 68.65 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.96 4.42 4.09 .95 3 22 0.78

Structural Alerts

There are no structural alerts for CHEMBL1571058

Compound Cross References

ChemSpider ChemSpider:HPOVLKMMKKJBON-UHFFFAOYSA-N
PubChem SID: 4263980

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571058



eMolecules 631564
IBM Patent System 5922B865CC8F9EC4208CE2E2C345FBA0
Mcule MCULE-8662715040
MolPort MolPort-000-886-129
PubChem 673730
SureChEMBL SCHEMBL3228525
ZINC ZINC000000035887

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