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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310234
CHEMBL3310234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL3310234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(NC(=O)c2ccccc2)c(C)c(C)c1O
Standard InChI InChI=1S/C15H16N2O2/c1-9-10(2)14(16-11(3)13(9)18)17-15(19)12 ...
Download InChI
Standard InChI Key DBIGAXICKPMYLL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310234

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 2.96 2 62.22 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
11.22 5.32 2.31 2.31 2 19 0.87

Structural Alerts

There are no structural alerts for CHEMBL3310234

Compound Cross References

ChemSpider ChemSpider:DBIGAXICKPMYLL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310234



PubChem 86304264
SureChEMBL SCHEMBL17509903
ZINC ZINC000221291904

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