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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3310317
CHEMBL3310317
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12F3N3O

Additional synonyms for CHEMBL3310317 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2ccccn2c1C(=O)Nc3cccc(c3)C(F)(F)F
Standard InChI InChI=1S/C16H12F3N3O/c1-10-14(22-8-3-2-7-13(22)20-10)15(23)2 ...
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Standard InChI Key GIIFANNBWRNJOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3310317

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
319.3 319.0932 3.91 2 46.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.51 5.24 3.83 3.83 3 23 0.78

Structural Alerts

There are no structural alerts for CHEMBL3310317

Compound Cross References

ChemSpider ChemSpider:GIIFANNBWRNJOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3310317



eMolecules 1271749
Mcule MCULE-8895439167
MolPort MolPort-001-901-590
PubChem 789697
ZINC ZINC000000289641

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