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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42370
CHEMBL42370
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H12FNO3

Additional synonyms for CHEMBL42370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC[C@H](O)c1ccc(O)c(O)c1F
Standard InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3, ...
Download InChI
Standard InChI Key HGZKLMFEVVYGMO-ZETCQYMHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL42370

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
201.2 201.0801 0.49 3 72.72 BASE


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
8.2 9.02 -.07 -1.69 1 14 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL42370. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HGZKLMFEVVYGMO-ZETCQYMHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42370



BindingDB 50087520
IBM Patent System FA30F53BAF413C7EFAEFFB8EA8B2877A
Nikkaji J347.043A
PubChem 10512270
PubChem: Thomson Pharma 15537543
ZINC ZINC000011422476

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