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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1909073
CHEMBL1909073
Compound Name PIPERILATE ETHOBROMIDE
ChEMBL Synonyms Piperilate Ethobromide
Max Phase 0
Trade Names
Molecular Formula C23H30BrNO3

Additional synonyms for CHEMBL1909073 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c3ccccc3)CCCCC1
Standard InChI InChI=1S/C23H30NO3.BrH/c1-2-24(16-10-5-11-17-24)18-19-27-22( ...
Download InChI
Standard InChI Key VPUGSHLBERYQGC-UHFFFAOYSA-M

Sources

  • DrugMatrix
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1909073

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
368.5 368.222 3.49 7 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.2 - -.57 -.57 2 27 0.6

Structural Alerts

There are 6 structural alerts for CHEMBL1909073. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VPUGSHLBERYQGC-UHFFFAOYSA-M
PubChem SID: 144206060 SID: 170465967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1909073



ACToR 23182-46-9
eMolecules 6719849
EPA CompTox Dashboard DTXSID7046677
FDA SRS ZA38L5WD1K
PubChem 168088

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