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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65983
CHEMBL65983
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17NO2

Additional synonyms for CHEMBL65983 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nc(O)c(c(O)c1C)c2ccccc2
Standard InChI InChI=1S/C15H17NO2/c1-3-7-12-10(2)14(17)13(15(18)16-12)11-8- ...
Download InChI
Standard InChI Key WPVLRJPOKAPVAE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65983

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
243.3 243.1259 4.14 3 53.35 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.49 13.94 3.25 .67 2 18 0.85

Structural Alerts

There are no structural alerts for CHEMBL65983

Compound Cross References

ChemSpider ChemSpider:WPVLRJPOKAPVAE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65983



PubChem 54726313
ZINC ZINC000026175074

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