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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336208
CHEMBL2336208
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H23FN4O2

Additional synonyms for CHEMBL2336208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c(Oc2ccccc2F)c1C(=O)N3CCCCC3c4cccnc4
Standard InChI InChI=1S/C22H23FN4O2/c1-15-20(22(26(2)25-15)29-19-11-4-3-9-1 ...
Download InChI
Standard InChI Key AIXYWFIHNYBJKB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336208

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
394.5 394.1805 4.42 4 60.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 4.71 4.71 3 29 0.66

Structural Alerts

There are no structural alerts for CHEMBL2336208

Compound Cross References

ChemSpider ChemSpider:AIXYWFIHNYBJKB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336208



BindingDB 50429151
PubChem 71559936
PubChem: Thomson Pharma 163560149

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