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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333901
CHEMBL2333901
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H24FN5O

Additional synonyms for CHEMBL2333901 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(c1)[C@@H]2CN(Cc3ccccc3)C[C@H]2C4=Nc5ccc(cc5C(=O)N4)c ...
Download SMILES
Standard InChI InChI=1S/C28H24FN5O/c29-22-8-4-7-20(11-22)24-16-34(15-18-5-2 ...
Download InChI
Standard InChI Key LZQNJDQXSZXERV-LOSJGSFVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333901

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
465.5 465.1965 4.84 5 77.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.43 7.89 4.27 3.69 5 35 0.39

Structural Alerts

There are no structural alerts for CHEMBL2333901

Compound Cross References

ChemSpider ChemSpider:LZQNJDQXSZXERV-LOSJGSFVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333901



BindingDB 50430353
PubChem 71567880
PubChem: Thomson Pharma 163594351
ZINC ZINC000095591927

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