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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142784
CHEMBL142784
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N2O2

Additional synonyms for CHEMBL142784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Oc1ccccc1c2cocc2)C3=NCCN3
Standard InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)1 ...
Download InChI
Standard InChI Key JJNCVWTXKJXARP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142784

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
242.3 242.1055 2.33 4 46.76 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.8 2.88 1.02 2 18 0.89

Structural Alerts

There are no structural alerts for CHEMBL142784

Compound Cross References

ChemSpider ChemSpider:JJNCVWTXKJXARP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142784



BindingDB 50000195
Nikkaji J1.693.298A
PubChem 44362194
ZINC ZINC000013437832

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