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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL111103
CHEMBL111103
Compound Name FALINTOLOL
ChEMBL Synonyms Falintolol
Max Phase 0
Trade Names
Molecular Formula C12H24N2O2

Additional synonyms for CHEMBL111103 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=N/OCC(O)CNC(C)(C)C)\C1CC1
Standard InChI InChI=1S/C12H24N2O2/c1-9(10-5-6-10)14-16-8-11(15)7-13-12(2,3 ...
Download InChI
Standard InChI Key IYQDIWRBEQWANY-NTEUORMPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL111103

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
228.3 228.1838 1.54 6 53.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.69 2.21 -.04 0 16 0.54

Structural Alerts

There are 8 structural alerts for CHEMBL111103. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IYQDIWRBEQWANY-NTEUORMPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL111103



ACToR 90581-63-8
BindingDB 50405278
PubChem 6917762
PubChem: Thomson Pharma 15439748

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