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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1683920
CHEMBL1683920
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25N3O2

Additional synonyms for CHEMBL1683920 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCN1CCC(CC1)OC(=O)Nc2ccccc2c3ccccc3
Standard InChI InChI=1S/C20H25N3O2/c21-12-15-23-13-10-17(11-14-23)25-20(24) ...
Download InChI
Standard InChI Key NPXZKPMDXMXGDW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1683920

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
339.4 339.1947 3.33 5 67.59 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.34 10.21 2.76 .47 2 25 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL1683920. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NPXZKPMDXMXGDW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1683920



BindingDB 50337865
IBM Patent System 807BD5540D27C4F818701A9E0B073D97
PubChem 53319786
SureChEMBL SCHEMBL266581
ZINC ZINC000066078609

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