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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL222670
CHEMBL222670
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H34F3N5O2

Additional synonyms for CHEMBL222670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(N1CCN(CC1)c2ccc(cn2)C(F)(F)F)C(=O)N[C@@H]3C4C[C@@H]5CC ...
Download SMILES
Standard InChI InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14- ...
Download InChI
Standard InChI Key CLHMYBJIOZXCEX-HGYLWUCXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL222670

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
493.6 493.2665 3.12 6 91.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.99 2.49 2.48 1 35 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL222670. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CLHMYBJIOZXCEX-HGYLWUCXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL222670



BindingDB 50195291

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