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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL304636
CHEMBL304636
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15NO2

Additional synonyms for CHEMBL304636 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1c2occc2c(C)c3ccoc13
Standard InChI InChI=1S/C14H15NO2/c1-8(15)7-12-13-10(3-5-16-13)9(2)11-4-6-1 ...
Download InChI
Standard InChI Key JGSDPWBXHNULLD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL304636

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
229.3 229.1103 2.73 2 52.3 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.71 1.11 -1.14 3 17 0.72

Structural Alerts

There are no structural alerts for CHEMBL304636

Compound Cross References

ChemSpider ChemSpider:JGSDPWBXHNULLD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL304636



BindingDB 50115831
Nikkaji J1.764.932I
PubChem 10443798
PubChem: Thomson Pharma 15464387

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