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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL208152
CHEMBL208152
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H11F2NO2

Additional synonyms for CHEMBL208152 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F
Standard InChI InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H ...
Download InChI
Standard InChI Key PPFKZUHHAXUCRZ-LMVFSUKVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL208152

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
167.2 167.0758 -0.66 0 52.49 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.13 5.32 -.03 -.03 0 11 0.45

Structural Alerts

There are no structural alerts for CHEMBL208152

Compound Cross References

ChemSpider ChemSpider:PPFKZUHHAXUCRZ-LMVFSUKVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL208152



BindingDB 50186733
Nikkaji J2.182.041E
PubChem 44410719

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