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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3234869
CHEMBL3234869
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H31F3N6O4

Additional synonyms for CHEMBL3234869 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ccc1C(=O)O)C2CCN(CC2)c3cc(nc(n3)C(F)(F)F)N4CC[C@H]4C( ...
Download SMILES
Standard InChI InChI=1S/C31H31F3N6O4/c1-44-25-16-22(6-7-23(25)29(42)43)21-9 ...
Download InChI
Standard InChI Key WIAGWRWRFOVUSG-DEOSSOPVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3234869

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
608.6 608.2359 5.17 10 131.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 2 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 6.56 4.28 1.49 3 44 0.32

Structural Alerts

There are no structural alerts for CHEMBL3234869

Compound Cross References

ChemSpider ChemSpider:WIAGWRWRFOVUSG-DEOSSOPVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3234869



BindingDB 50003570
PubChem 90654598
ZINC ZINC000169311904

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