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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201896
CHEMBL201896
Compound Name THYRONAMINE
ChEMBL Synonyms Thyronamine
Max Phase 0
Trade Names
Molecular Formula C14H15NO2

Additional synonyms for CHEMBL201896 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccc(Oc2ccc(O)cc2)cc1
Standard InChI InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16 ...
Download InChI
Standard InChI Key OVUVNKDANCKDCK-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL201896

Alternate Forms of Compound in ChEMBL


CHEMBL201896

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
229.3 229.1103 2.58 4 55.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.09 9.99 2.49 .02 2 17 0.85

Compound Cross References

ChemSpider ChemSpider:OVUVNKDANCKDCK-UHFFFAOYSA-N
Wikipedia Thyronamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201896



ACToR 500-78-7
Nikkaji J2.654.703B
PubChem 3083601
PubChem: Thomson Pharma 15415335
SureChEMBL SCHEMBL449823

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