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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30816
CHEMBL30816
Compound Name DICHLOROISOPROTERENOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15Cl2NO

Additional synonyms for CHEMBL30816 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Standard InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/ ...
Download InChI
Standard InChI Key VKMGSWIFEHZQRS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL30816

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
248.2 247.0531 3.02 4 32.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.32 9.17 3 1.21 1 15 0.86

Structural Alerts

There are no structural alerts for CHEMBL30816

Compound Cross References

ChemSpider ChemSpider:VKMGSWIFEHZQRS-UHFFFAOYSA-N
Wikipedia Dichloroisoprenaline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30816



ACToR 59-61-0
BindingDB 50036835
DrugBank DB12803
EPA CompTox Dashboard DTXSID20874225
IBM Patent System 2E5EC938765ED6917B3F82C1920BDD51
Mcule MCULE-5460536983
Nikkaji J4.793G
NMRShiftDB 20209400
PubChem 5806
PubChem: Thomson Pharma 14995488
SureChEMBL SCHEMBL613952

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