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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206821
CHEMBL2206821
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25FN2O4

Additional synonyms for CHEMBL2206821 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CN[C@H](CN[C@@H](COCOc2ccc(F)cc2)c3ccccc3)[C@H]1O
Standard InChI InChI=1S/C20H25FN2O4/c21-15-6-8-16(9-7-15)27-13-26-12-18(14- ...
Download InChI
Standard InChI Key YGVFJBBOHDKSJL-FUMNGEBKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206821

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
376.4 376.1798 1.2 9 82.98 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.13 2.28 .51 2 27 0.39

Structural Alerts

There are 5 structural alerts for CHEMBL2206821. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YGVFJBBOHDKSJL-FUMNGEBKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206821



BindingDB 50402969
PubChem 71457787
ZINC ZINC000095560514

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