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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL347388
CHEMBL347388
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H12F3NO3S

Additional synonyms for CHEMBL347388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@@H](CS)C(F)(F)F
Standard InChI InChI=1S/C9H12F3NO3S/c10-9(11,12)5(4-17)7(14)13-3-1-2-6(13)8 ...
Download InChI
Standard InChI Key PPHPDJQYQOXIEP-RITPCOANSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL347388

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
271.3 271.049 1.17 3 57.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.22 - 2.51 -1.1 0 17 0.76

Structural Alerts

There are 7 structural alerts for CHEMBL347388. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPHPDJQYQOXIEP-RITPCOANSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL347388



BindingDB 50279824
PubChem 10468406
PubChem: Thomson Pharma 15491372

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