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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1306925
CHEMBL1306925
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15FN2O2

Additional synonyms for CHEMBL1306925 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(NC(=O)NCc2ccc(F)cc2)c1
Standard InChI InChI=1S/C15H15FN2O2/c1-20-14-4-2-3-13(9-14)18-15(19)17-10-1 ...
Download InChI
Standard InChI Key ADAAUQXIHWBUMZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1306925

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
274.3 274.1118 3.16 4 50.36 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.32 .08 2.61 2.61 2 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL1306925

Compound Cross References

ChemSpider ChemSpider:ADAAUQXIHWBUMZ-UHFFFAOYSA-N
PubChem SID: 24792903

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1306925



eMolecules 2294565
Mcule MCULE-4532450933
MolPort MolPort-002-109-232
PubChem 6469916
ZINC ZINC000006741338

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