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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143202
CHEMBL143202
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2O

Additional synonyms for CHEMBL143202 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCc1c[nH]c2cccc(O)c12
Standard InChI InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)1 ...
Download InChI
Standard InChI Key OHHYMKDBKJPILO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143202

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
232.3 232.1576 2.97 5 39.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.83 10.45 2.47 -.27 2 17 0.83

Structural Alerts

There are no structural alerts for CHEMBL143202

Compound Cross References

ChemSpider ChemSpider:OHHYMKDBKJPILO-UHFFFAOYSA-N
Wikipedia 4-HO-DET

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143202



BindingDB 50094675
EPA CompTox Dashboard DTXSID60176755
FDA SRS 7E0BR15575
Nikkaji J1.077.418G
PubChem 9991554
PubChem: Thomson Pharma 14970279
ZINC ZINC000022001974

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