ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:UWAZSQUZHSRNTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1082049



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
spacer