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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL171419
CHEMBL171419
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2O

Additional synonyms for CHEMBL171419 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL171419

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 3 4 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
10.08 9.54 2.32 .03 2 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL171419

Compound Cross References

ChemSpider ChemSpider:RXKGHZCQFXXWFQ-UHFFFAOYSA-N
Wikipedia 4-HO-MiPT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL171419



eMolecules 976890
EPA CompTox Dashboard DTXSID30228492
FDA SRS 4GAJ9OJ8YZ
PubChem 10082683
PubChem: Thomson Pharma 15068868
ZINC ZINC000028003897

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