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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425773
CHEMBL2425773
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12F3N3O2

Additional synonyms for CHEMBL2425773 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(C(O)c2ccncc2)c3cc(nn13)C(F)(F)F
Standard InChI InChI=1S/C15H12F3N3O2/c1-23-13-3-2-10(14(22)9-4-6-19-7-5-9)1 ...
Download InChI
Standard InChI Key PCHJMMCRUACMBB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425773

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
323.3 323.0882 2.84 3 59.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.13 4.52 1.72 1.72 3 23 0.81

Structural Alerts

There are no structural alerts for CHEMBL2425773

Compound Cross References

ChemSpider ChemSpider:PCHJMMCRUACMBB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425773



PubChem 72193178

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