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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL434221
CHEMBL434221
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N2O2

Additional synonyms for CHEMBL434221 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCC1CN(C(=O)C1)c2ccc(OC)cc2
Standard InChI InChI=1S/C13H18N2O2/c1-14-8-10-7-13(16)15(9-10)11-3-5-12(17- ...
Download InChI
Standard InChI Key KICGVYQAFLICNV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL434221

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
234.3 234.1368 1.27 4 41.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.86 1.22 -1.19 1 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL434221

Compound Cross References

ChemSpider ChemSpider:KICGVYQAFLICNV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL434221



BindingDB 50368741
Nikkaji J577.951K
PubChem 14966406

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