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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL477466
CHEMBL477466
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24N2O4

Additional synonyms for CHEMBL477466 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1OCCNC[C@H](O)COc2cccc3[nH]ccc23
Standard InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15 ...
Download InChI
Standard InChI Key NYTATKPYSHURLX-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL477466

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
356.4 356.1736 2.58 10 75.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.9 8.25 2.13 1.11 3 26 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL477466. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYTATKPYSHURLX-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL477466



BindingDB 50267197
Nikkaji J3.316.129H
PubChem 25266787
PubChem: Thomson Pharma 58101541

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