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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19344
CHEMBL19344
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H17NO3

Additional synonyms for CHEMBL19344 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
Standard InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(1 ...
Download InChI
Standard InChI Key WZRCQWQRFZITDX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19344

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
271.3 271.1208 2.65 2 72.72 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.72 9.03 1.68 .03 2 20 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL19344. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WZRCQWQRFZITDX-UHFFFAOYSA-N
Wikipedia Higenamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19344



ACToR 5843-65-2
ChEBI 18418
Human Metabolome Database HMDB33103
IBM Patent System 2BB6D4CD8D2011030E1869E43E5EC33B
KEGG Ligand C06346
PubChem 114840
PubChem: Thomson Pharma 14947555
SureChEMBL SCHEMBL636788

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