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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031744
CHEMBL2031744
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H23FN2O

Additional synonyms for CHEMBL2031744 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(c1)c2ccc3C(=O)N(CCN4CCCC4)CCc3c2
Standard InChI InChI=1S/C21H23FN2O/c22-19-5-3-4-16(15-19)17-6-7-20-18(14-17 ...
Download InChI
Standard InChI Key WLSIIBHMNYNDNS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031744

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
338.4 338.1794 3.59 4 23.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.07 2.61 1.03 2 25 0.85

Structural Alerts

There are no structural alerts for CHEMBL2031744

Compound Cross References

ChemSpider ChemSpider:WLSIIBHMNYNDNS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031744



BindingDB 50383121
IBM Patent System 889D0DFE41E2037B908EA31560710921
PubChem 25217760
PubChem: Thomson Pharma 57559421
SureChEMBL SCHEMBL3655913
ZINC ZINC000059113583

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