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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL236205
CHEMBL236205
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H15F3N4O2

Additional synonyms for CHEMBL236205 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnn2CCc3ccncc3)cc1
Standard InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17 ...
Download InChI
Standard InChI Key PPTQGESVTYQYST-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL236205

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
376.3 376.1147 3.67 6 69.04 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
12.49 5.77 2.49 2.48 3 27 0.71

Structural Alerts

There are no structural alerts for CHEMBL236205

Compound Cross References

ChemSpider ChemSpider:PPTQGESVTYQYST-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL236205



BindingDB 50211983
PubChem 44431899
ZINC ZINC000028822045

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