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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL248770
CHEMBL248770
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H13NO3

Additional synonyms for CHEMBL248770 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccc2nc(\C=C\c3ccccc3O)ccc2c1
Standard InChI InChI=1S/C18H13NO3/c20-17-4-2-1-3-12(17)5-8-15-9-6-13-11-14( ...
Download InChI
Standard InChI Key SFSFCNVXOMMSTN-VMPITWQZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL248770

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
291.3 291.0895 3.81 3 70.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.34 3.83 3.28 .27 3 22 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL248770. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFSFCNVXOMMSTN-VMPITWQZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL248770



PubChem: Thomson Pharma 17406326
ZINC ZINC000028957912

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