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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7421
CHEMBL7421
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19F3N2O

Additional synonyms for CHEMBL7421 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1Cc2cc3c(cc(O)nc3cc2N[C@@H]1CC)C(F)(F)F
Standard InChI InChI=1S/C17H19F3N2O/c1-3-9-5-10-6-11-12(17(18,19)20)7-16(23 ...
Download InChI
Standard InChI Key LOVUSVPDJMJWAS-NOZJJQNGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7421

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
324.4 324.1449 4.73 2 45.15 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.43 5.61 3.45 2 23 0.84

Structural Alerts

There are no structural alerts for CHEMBL7421

Compound Cross References

ChemSpider ChemSpider:LOVUSVPDJMJWAS-NOZJJQNGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7421



BindingDB 50076705
PubChem 15517884
ZINC ZINC000013581081

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