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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46295
CHEMBL46295
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H21FN4O2

Additional synonyms for CHEMBL46295 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(F)cccc1C(=O)Nc2ccc(cn2)C(=O)N3Cc4cccn4Cc5ccccc35
Standard InChI InChI=1S/C26H21FN4O2/c1-17-21(8-4-9-22(17)27)25(32)29-24-12- ...
Download InChI
Standard InChI Key MYLORHMOQIOMFF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL46295

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
440.5 440.1649 4.79 3 67.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.23 1.54 4.02 4.02 4 33 0.5

Structural Alerts

There are no structural alerts for CHEMBL46295

Compound Cross References

ChemSpider ChemSpider:MYLORHMOQIOMFF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46295



BindingDB 50078656
Nikkaji J1.117.906A
PubChem 44213443
ZINC ZINC000000838555

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