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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1682559
CHEMBL1682559
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24FN5O

Additional synonyms for CHEMBL1682559 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)c2ncn(CCCN3CCOCC3)c2c4ccc5[nH]ncc5c4
Standard InChI InChI=1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19( ...
Download InChI
Standard InChI Key HLFSCVDUUVJVCD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1682559

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
405.5 405.1965 3.95 6 58.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.6 7.29 2.58 2.3 4 30 0.53

Structural Alerts

There are no structural alerts for CHEMBL1682559

Compound Cross References

ChemSpider ChemSpider:HLFSCVDUUVJVCD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1682559



BindingDB 50337384
IBM Patent System F0B623B17F4F4AB38BDD3529EA1F6B5C
PubChem 25165280
PubChem: Thomson Pharma 57271031
SureChEMBL SCHEMBL3668156
ZINC ZINC000066073645

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