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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1497304
CHEMBL1497304
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13NO6

Additional synonyms for CHEMBL1497304 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(COC(=O)c1occc1)Nc2ccc3OCCOc3c2
Standard InChI InChI=1S/C15H13NO6/c17-14(9-22-15(18)12-2-1-5-19-12)16-10-3- ...
Download InChI
Standard InChI Key NFYXUSIUIMFPPX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1497304

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
303.3 303.0743 1.85 4 87 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.54 .94 2.08 2.08 2 22 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL1497304. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFYXUSIUIMFPPX-UHFFFAOYSA-N
PubChem SID: 3711609

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1497304



eMolecules 3006553
Mcule MCULE-7754889975
MolPort MolPort-004-005-793
PubChem 2997706
ZINC ZINC000004195329

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