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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL392526
CHEMBL392526
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H23F3N4O3

Additional synonyms for CHEMBL392526 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O)C(F)(F) ...
Download SMILES
Standard InChI InChI=1S/C25H23F3N4O3/c1-35-19-11-9-18(10-12-19)32-22-20(23( ...
Download InChI
Standard InChI Key ADVBFHLRMYDWJH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL392526

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
484.5 484.1722 4.62 4 67.67 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .77 5.2 5.2 3 35 0.54

Structural Alerts

There are no structural alerts for CHEMBL392526

Compound Cross References

ChemSpider ChemSpider:ADVBFHLRMYDWJH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL392526



BindingDB 19020
Brenda 159235
IBM Patent System 5819D9F05B63183E181CE79B09B7AE5B
PubChem 10299701
PubChem: Thomson Pharma 15306407
SureChEMBL SCHEMBL2003955
ZINC ZINC000014969511

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