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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425170
CHEMBL2425170
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H12F3N

Additional synonyms for CHEMBL2425170 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(cc1)n2c3ccccc3c4ccccc24
Standard InChI InChI=1S/C19H12F3N/c20-19(21,22)13-9-11-14(12-10-13)23-17-7- ...
Download InChI
Standard InChI Key PDSJGMJNENPXCK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425170

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
311.3 311.0922 5.8 1 4.93 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.29 6.29 4 23 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL2425170. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PDSJGMJNENPXCK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425170



EPA CompTox Dashboard DTXSID40464889
Nikkaji J2.103.436C
PubChem 11404141
PubChem: Thomson Pharma 16499649
SureChEMBL SCHEMBL859629

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