ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447969
CHEMBL447969
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H21NO3

Additional synonyms for CHEMBL447969 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCNCC(=O)CCC(=O)O
Standard InChI InChI=1S/C11H21NO3/c1-2-3-4-5-8-12-9-10(13)6-7-11(14)15/h12H ...
Download InChI
Standard InChI Key FRSRRMYKORSLPV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL447969

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
215.3 215.1521 1.59 10 66.4 ACID


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
4.31 7.89 1.47 -1.08 0 15 0.54

Structural Alerts

There are 5 structural alerts for CHEMBL447969. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FRSRRMYKORSLPV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL447969



IBM Patent System 3C1604C8153D46DA9740B7F165C1D904
PubChem 44583115
SureChEMBL SCHEMBL571788
ZINC ZINC000040834824

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