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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL493633
CHEMBL493633
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H32FN3O3

Additional synonyms for CHEMBL493633 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=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/C28H32FN3O3/c1-16-26-24(11-8-21-7-6-18(15-31-21)17- ...
Download InChI
Standard InChI Key JKDKTHOEYKEBDE-LIWLXMMZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL493633

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
477.6 477.2428 4.81 4 80.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.91 4.36 4.36 2 35 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL493633. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JKDKTHOEYKEBDE-LIWLXMMZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL493633



PubChem 24878874
PubChem: Thomson Pharma 50134303
SureChEMBL SCHEMBL13324653
ZINC ZINC000049881640

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