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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL493983
CHEMBL493983
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H31FN2O4

Additional synonyms for CHEMBL493983 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC ...
Download SMILES
Standard InChI InChI=1S/C28H31FN2O4/c1-16-26-24(11-8-21-7-6-18(15-30-21)17- ...
Download InChI
Standard InChI Key FQDSAFJDUUWZDQ-LIWLXMMZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL493983

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
478.6 478.2268 5.24 4 77.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 3.91 4.88 4.88 2 35 0.61

Structural Alerts

There are 2 structural alerts for CHEMBL493983. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQDSAFJDUUWZDQ-LIWLXMMZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL493983



PubChem 24830595
PubChem: Thomson Pharma 49852345
SureChEMBL SCHEMBL14203468
ZINC ZINC000049881700

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