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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3234568
CHEMBL3234568
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30F3N7O

Additional synonyms for CHEMBL3234568 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)c2cc(nc(n2)C(F)(F)F)N3CCC[C@H](C3)C(=O)NCCc4ccc(c ...
Download SMILES
Standard InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)21-15-22(32-24( ...
Download InChI
Standard InChI Key YMFDSPVIOOOQTH-HXUWFJFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3234568

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
501.6 501.2464 2.69 6 88.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 8 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.49 3.05 2.52 2 36 0.65

Structural Alerts

There are no structural alerts for CHEMBL3234568

Compound Cross References

ChemSpider ChemSpider:YMFDSPVIOOOQTH-HXUWFJFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3234568



BindingDB 50003407
PubChem 90654587
ZINC ZINC000169310232

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