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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336216
CHEMBL2336216
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23F3N4O2

Additional synonyms for CHEMBL2336216 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N3CCCCC3c4cccnc4
Standard InChI InChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8 ...
Download InChI
Standard InChI Key DQWNTGMOUIJOAL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336216

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
444.5 444.1773 5.3 4 60.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 5.17 5.17 3 32 0.55

Structural Alerts

There are no structural alerts for CHEMBL2336216

Compound Cross References

ChemSpider ChemSpider:DQWNTGMOUIJOAL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336216



BindingDB 50429144
PubChem 71561614
PubChem: Thomson Pharma 163561935

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