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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

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

Structural Alerts

There are no structural alerts for CHEMBL124049

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
EPA CompTox Dashboard DTXSID10179074
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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