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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3309849
CHEMBL3309849
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL3309849 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1CCn2nc(COc3ccccc3)cc2C1=O
Standard InChI InChI=1S/C15H16N2O2/c1-11-7-8-17-14(15(11)18)9-12(16-17)10-1 ...
Download InChI
Standard InChI Key JLBLXDRTKGEWJG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3309849

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
256.3 256.1212 2.68 3 44.12 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.56 1.56 2 19 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL3309849. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLBLXDRTKGEWJG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3309849



BindingDB 50047399
PubChem 118706137

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