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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207910
CHEMBL207910
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H11F2NO3

Additional synonyms for CHEMBL207910 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F
Standard InChI InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H ...
Download InChI
Standard InChI Key QAAGRPJCHPCOIN-VPENINKCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL207910

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
183.2 183.0707 -1.69 1 72.72 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.98 4.46 -.36 -.36 0 12 0.39

Structural Alerts

There are no structural alerts for CHEMBL207910

Compound Cross References

ChemSpider ChemSpider:QAAGRPJCHPCOIN-VPENINKCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207910



BindingDB 50186734
PubChem 11665509
PubChem: Thomson Pharma 16769202

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