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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL607806
CHEMBL607806
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13NO5

Additional synonyms for CHEMBL607806 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(=O)O)C(=O)c3c2)cc1
Standard InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12) ...
Download InChI
Standard InChI Key ZPEBYGRZMWFEJS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL607806

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
311.3 311.0794 2.47 4 83.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.62 - 2.96 -.5 2 23 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL607806. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZPEBYGRZMWFEJS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL607806



BindingDB 50304581
eMolecules 1757078
Mcule MCULE-4930788586
MolPort MolPort-001-573-532
PubChem 753410
PubChem: Thomson Pharma 87352064
ZINC ZINC000000205636

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