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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7143
CHEMBL7143
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2O

Additional synonyms for CHEMBL7143 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Standard InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(1 ...
Download InChI
Standard InChI Key ACEHBQPPDDGCGZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7143

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 2.65 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
- 9.45 2.31 .44 2 17 0.88

Structural Alerts

There are no structural alerts for CHEMBL7143

Compound Cross References

ChemSpider ChemSpider:ACEHBQPPDDGCGZ-UHFFFAOYSA-N
Wikipedia 5-MeO-2-TMT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7143



ACToR 67292-68-6
BindingDB 50085972
EPA CompTox Dashboard DTXSID10217627
IBM Patent System 7F1E5AA66386B605D15EA1FAF29A96C8
Nikkaji J1.303.796E
PubChem 49756
PubChem: Thomson Pharma 14822952
SureChEMBL SCHEMBL5766124
ZINC ZINC000001996368

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