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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL31115
CHEMBL31115
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H16N2O

Additional synonyms for CHEMBL31115 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[nH]cc(CC(C)N)c2c1
Standard InChI InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12 ...
Download InChI
Standard InChI Key OGNJZVNNKBZFRM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL31115

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
204.3 204.1263 1.91 3 51.04 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.56 1.67 -1.21 2 15 0.8

Structural Alerts

There are no structural alerts for CHEMBL31115

Compound Cross References

ChemSpider ChemSpider:OGNJZVNNKBZFRM-UHFFFAOYSA-N
Wikipedia 5-MeO-AMT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL31115



ACToR 1137-04-8
BindingDB 50014219
ChEBI 125422
eMolecules 976828
IBM Patent System FF8AB9A894E96E4B14696FDBF24602F5
LINCS LSM-36910
MolPort MolPort-001-784-322
Nikkaji J347.398H
PubChem 36906
PubChem: Thomson Pharma 14843459
SureChEMBL SCHEMBL130876

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