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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL423449
CHEMBL423449
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19NO2

Additional synonyms for CHEMBL423449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@]23CCCC1[C@H]2Oc4c(O)cccc34
Standard InChI InChI=1S/C15H19NO2/c1-16-9-8-15-7-3-5-11(16)14(15)18-13-10(1 ...
Download InChI
Standard InChI Key NEEUHMCLVMVASY-JBAPVGOWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL423449

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
245.3 245.1416 2.28 0 32.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.53 8.51 .86 -.27 1 18 0.76

Structural Alerts

There are no structural alerts for CHEMBL423449

Compound Cross References

ChemSpider ChemSpider:NEEUHMCLVMVASY-JBAPVGOWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL423449



Nikkaji J2.088.833D
PubChem 44377089

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