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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65277
CHEMBL65277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H15FN4O2

Additional synonyms for CHEMBL65277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(F)ccc1NC(=O)NCCc2c[nH]cn2
Standard InChI InChI=1S/C13H15FN4O2/c1-20-12-6-9(14)2-3-11(12)18-13(19)16-5 ...
Download InChI
Standard InChI Key DAZOPYDOJHNKSD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65277

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
278.3 278.1179 1.92 5 79.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.22 7.25 .69 .38 2 20 0.78

Structural Alerts

There are no structural alerts for CHEMBL65277

Compound Cross References

ChemSpider ChemSpider:DAZOPYDOJHNKSD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65277



PubChem 44305849
ZINC ZINC000026175735

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