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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310235
CHEMBL3310235
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15FN2O2

Additional synonyms for CHEMBL3310235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(NC(=O)c2ccc(F)cc2)c(C)c(C)c1O
Standard InChI InChI=1S/C15H15FN2O2/c1-8-9(2)14(17-10(3)13(8)19)18-15(20)11 ...
Download InChI
Standard InChI Key GGVJFSBLLUICFH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310235

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 3.1 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
10.94 5.27 2.58 2.58 2 20 0.88

Structural Alerts

There are no structural alerts for CHEMBL3310235

Compound Cross References

ChemSpider ChemSpider:GGVJFSBLLUICFH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310235



PubChem 86304265
SureChEMBL SCHEMBL16182553
ZINC ZINC000221291988

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