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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206819
CHEMBL2206819
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25FN2O3

Additional synonyms for CHEMBL2206819 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CN[C@H](CN[C@@H](COCc2cccc(F)c2)c3ccccc3)[C@H]1O
Standard InChI InChI=1S/C20H25FN2O3/c21-16-8-4-5-14(9-16)12-26-13-18(15-6-2 ...
Download InChI
Standard InChI Key DJYLNBQRSVBZCR-FUMNGEBKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206819

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
360.4 360.1849 1.37 8 73.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.12 2.05 .31 2 26 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL2206819. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DJYLNBQRSVBZCR-FUMNGEBKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206819



BindingDB 50402971
PubChem 11485203
PubChem: Thomson Pharma 16586807
ZINC ZINC000040538345

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