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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65220
CHEMBL65220
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13F3N2

Additional synonyms for CHEMBL65220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(cc1)c2cn(Cc3ccccc3)cn2
Standard InChI InChI=1S/C17H13F3N2/c18-17(19,20)15-8-6-14(7-9-15)16-11-22(1 ...
Download InChI
Standard InChI Key DRWRWALCWFLZQN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65220

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
302.3 302.1031 4.4 4 17.82 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.99 3.59 3.57 3 22 0.7

Structural Alerts

There are no structural alerts for CHEMBL65220

Compound Cross References

ChemSpider ChemSpider:DRWRWALCWFLZQN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65220



BindingDB 8751
IBM Patent System 0780C474F867014559E76B072E5D4FE4
PubChem 6539912
PubChem: Thomson Pharma 14898476
SureChEMBL SCHEMBL5755514
ZINC ZINC000014946218

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