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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL326672
CHEMBL326672
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H25NO2

Additional synonyms for CHEMBL326672 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC\C=C\[C@H](O)[C@@H](N)CO
Standard InChI InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-12(15)11(13)10-14/h8-9 ...
Download InChI
Standard InChI Key NCNKWPUJUUMFNR-OMJLJAAMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL326672

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
215.3 215.1885 1.58 9 66.48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.83 7.9 1.98 .14 0 15 0.4

Structural Alerts

There are 7 structural alerts for CHEMBL326672. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCNKWPUJUUMFNR-OMJLJAAMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL326672



Nikkaji J1.195.983K
PubChem 10775068
PubChem: Thomson Pharma 15813041
ZINC ZINC000043860494

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