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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

Structural Alerts

There are no structural alerts for CHEMBL124049

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 #Rotatable Bonds Polar Surface Area Molecular Species
195.3 195.1259 1.71 4 44.48 BASE


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


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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124049



ACToR 24333-19-5
BindingDB 50240787
eMolecules 977129
FDA SRS 7J43GY6ONS
IBM Patent System 2055CD89D848D0C24E2B8A51A093BE8E
Nikkaji J50.038K
PubChem 135740
PubChem: Thomson Pharma 16718176
SureChEMBL SCHEMBL1048621

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