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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2426737
CHEMBL2426737
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL2426737 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(NC(=O)c2ccc(O)cc2)cc1
Standard InChI InChI=1S/C15H16N2O2/c1-17(2)13-7-5-12(6-8-13)16-15(19)11-3-9 ...
Download InChI
Standard InChI Key PBTKEXBVZYVYDS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2426737

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 2.71 3 52.57 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.49 5.52 2.12 2.06 2 19 0.89

Structural Alerts

There are no structural alerts for CHEMBL2426737

Compound Cross References

ChemSpider ChemSpider:PBTKEXBVZYVYDS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2426737



IBM Patent System 65D47AC0C36718F71E3A89A936C8D2D5
PubChem 43405603
SureChEMBL SCHEMBL13394759

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