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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL66591
CHEMBL66591
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13FN2O5

Additional synonyms for CHEMBL66591 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NC(=O)CC1C(=O)N(C)C(=O)c2ccc(F)cc12
Standard InChI InChI=1S/C14H13FN2O5/c1-17-12(19)8-4-3-7(15)5-9(8)10(13(17)2 ...
Download InChI
Standard InChI Key CJAXWVNKRXKTPB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL66591

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
308.3 308.0808 0.75 3 92.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.73 - -1.12 -1.28 1 22 0.83

Structural Alerts

There are 3 structural alerts for CHEMBL66591. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CJAXWVNKRXKTPB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL66591



PubChem 10470508
PubChem: Thomson Pharma 15493731

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