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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074822
CHEMBL2074822
Compound Name CEFLUPRENAM
ChEMBL Synonyms CEFLUPRENAM
Max Phase 0
Trade Names
Molecular Formula C20H25FN8O6S2

Additional synonyms for CHEMBL2074822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[N+](C)(C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/OCF)\c3ns ...
Download SMILES
Standard InChI InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18 ...
Download InChI
Standard InChI Key XAKKNLNAJBNLPC-MAYKBZFQSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL2074822

Molecule Features

CHEMBL2074822 compound icon
Drug Type:Natural Product Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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
556.6 556.1323 -4.08 12 259.56 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 2 14 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.55 - -4.73 -4.39 1 37 0.1

Structural Alerts

There are 17 structural alerts for CHEMBL2074822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XAKKNLNAJBNLPC-MAYKBZFQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074822



ACToR 116853-25-9
PubChem 6536774
PubChem: Drugs of the Future 12014234
PubChem: Thomson Pharma 14886201 15260524
SureChEMBL SCHEMBL75058

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