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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL169149
CHEMBL169149
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N2O

Additional synonyms for CHEMBL169149 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(OCc2nc3ccccc3[nH]2)c1
Standard InChI InChI=1S/C15H14N2O/c1-11-5-4-6-12(9-11)18-10-15-16-13-7-2-3- ...
Download InChI
Standard InChI Key AHGFRGJUURRDBL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL169149

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
238.3 238.1106 3.45 3 37.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.41 4.9 3.73 3.73 3 18 0.76

Structural Alerts

There are no structural alerts for CHEMBL169149

Compound Cross References

ChemSpider ChemSpider:AHGFRGJUURRDBL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL169149



BindingDB 50404932
eMolecules 5678817
Mcule MCULE-5937085616
MolPort MolPort-000-875-304
PubChem 1542163
ZINC ZINC000001473081

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