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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL67063
CHEMBL67063
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL67063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(C)c(COC(=O)c2ccccc2)nc1C
Standard InChI InChI=1S/C15H16N2O2/c1-10-11(2)17-14(12(3)16-10)9-19-15(18)1 ...
Download InChI
Standard InChI Key DORLUZXPJBACES-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL67063

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 2.03 4 52.08 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
- 1.97 2.73 2.73 2 19 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL67063. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DORLUZXPJBACES-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL67063



PubChem 44307420
ZINC ZINC000026249436

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