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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124049
CHEMBL124049
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H17NO2

Additional synonyms for CHEMBL124049 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)c(OC)cc1C
Standard InChI InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H ...
Download InChI
Standard InChI Key UNQQFDCVEMVQHM-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL124049

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
195.3 195.1259 1.71 0 4 No Yes BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- 9.73 1.97 -.3 1 14 0 0.8

Compound Cross References

ChemSpider ChemSpider:UNQQFDCVEMVQHM-UHFFFAOYSA-N
Wikipedia 2C-D

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124049



eMolecules 977129
SureChem SureCN1048621
PubChem: Thomson Pharma 16718176
PubChem 135740

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