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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1085903
CHEMBL1085903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H20F3N3O

Additional synonyms for CHEMBL1085903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(c1)N2CCN(CC3CCCCN3)C2=O
Standard InChI InChI=1S/C16H20F3N3O/c17-16(18,19)12-4-3-6-14(10-12)22-9-8-2 ...
Download InChI
Standard InChI Key AREYZFZATPKFNP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1085903

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
327.4 327.1558 3.09 3 35.58 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.31 2.58 .21 1 23 0.93

Structural Alerts

There are no structural alerts for CHEMBL1085903

Compound Cross References

ChemSpider ChemSpider:AREYZFZATPKFNP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1085903



PubChem 46881466

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