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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259747
CHEMBL259747
Compound Name
ChEMBL Synonyms AF-2
Max Phase 0
Trade Names
Molecular Formula C11H8N2O5

Additional synonyms for CHEMBL259747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)\C(=C/c1oc(cc1)[N+](=O)[O-])\c2occc2
Standard InChI InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7) ...
Download InChI
Standard InChI Key LYAHJFZLDZDIOH-VURMDHGXSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL259747

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
248.2 248.0433 1.59 4 115.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .26 .26 2 18 0.5

Structural Alerts

There are 8 structural alerts for CHEMBL259747. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LYAHJFZLDZDIOH-VURMDHGXSA-N
Wikipedia Furylfuramide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259747



ACToR 18772-03-7 3688-53-7
ChEBI 15660
EPA CompTox Dashboard DTXSID9020033
FDA SRS 054NR2135Y
KEGG Ligand C19558 C04622
PubChem 5280707
PubChem: Thomson Pharma 15440646
SureChEMBL SCHEMBL106825
ZINC ZINC00001501

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