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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL235906
CHEMBL235906
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H25F3N4O2

Additional synonyms for CHEMBL235906 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5)C(F)(F)F
Standard InChI InChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23( ...
Download InChI
Standard InChI Key OALCVKVJNNZBEH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL235906

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
470.5 470.193 5.09 4 50.6 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
- 4.86 5.86 5.86 3 34 0.53

Structural Alerts

There are no structural alerts for CHEMBL235906

Compound Cross References

ChemSpider ChemSpider:OALCVKVJNNZBEH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL235906



BindingDB 19019
PubChem 23635386
PubChem: Thomson Pharma 46498322
ZINC ZINC000014969507

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