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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL494816
CHEMBL494816
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H35FN2O4

Additional synonyms for CHEMBL494816 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C) ...
Download SMILES
Standard InChI InChI=1S/C30H35FN2O4/c1-3-13-36-30(35)33-24-10-11-25-21(15-2 ...
Download InChI
Standard InChI Key IPDVJPDFPQFXHJ-FVVGZSQPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL494816

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
506.6 506.2581 6.02 6 77.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 2 6 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.44 3.91 5.9 5.9 2 37 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL494816. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IPDVJPDFPQFXHJ-FVVGZSQPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL494816



PubChem 24830436
PubChem: Thomson Pharma 49852183
SureChEMBL SCHEMBL14203457
ZINC ZINC000049878755

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