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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20243
CHEMBL20243
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2O

Additional synonyms for CHEMBL20243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C)c2[nH]cc(CCN(C)C)c2c1
Standard InChI InChI=1S/C14H20N2O/c1-10-7-12(17-4)8-13-11(5-6-16(2)3)9-15-1 ...
Download InChI
Standard InChI Key YGAOMGVUIWNFMD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20243

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 2.99 4 28.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.44 2.26 .4 2 17 0.88

Structural Alerts

There are no structural alerts for CHEMBL20243

Compound Cross References

ChemSpider ChemSpider:YGAOMGVUIWNFMD-UHFFFAOYSA-N
Wikipedia 5-Methoxy-7,N,N-trimethyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20243



EPA CompTox Dashboard DTXSID40491731
PubChem 12338919
ZINC ZINC000013816896

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