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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL231070
CHEMBL231070
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23NO

Additional synonyms for CHEMBL231070 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCc2ccccc2Cc3ccc(O)cc3CC1
Standard InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19 ...
Download InChI
Standard InChI Key HWJXQZBZKJYOMP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL231070

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
281.4 281.178 3.4 0 23.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.35 9.32 4.17 2.3 2 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL231070

Compound Cross References

ChemSpider ChemSpider:HWJXQZBZKJYOMP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL231070



BindingDB 50219137
PubChem 17755867
PubChem: Thomson Pharma 29213743
ZINC ZINC000028711629

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