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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1082049
CHEMBL1082049
Compound Name FARINOMALEIN
ChEMBL Synonyms Farinomalein
Max Phase 0
Trade Names
Molecular Formula C10H13NO4

Additional synonyms for CHEMBL1082049 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1=CC(=O)N(CCC(=O)O)C1=O
Standard InChI InChI=1S/C10H13NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h5 ...
Download InChI
Standard InChI Key UWAZSQUZHSRNTR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1082049

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
211.2 211.0845 0.7 4 74.68 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
4.29 - 1.34 -1.68 0 15 0.69

Structural Alerts

There are 2 structural alerts for CHEMBL1082049. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UWAZSQUZHSRNTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1082049



EPA CompTox Dashboard DTXSID50658055
Nikkaji J2.768.283I
PubChem 44254797
PubChem: Thomson Pharma 85289519

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