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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1085155
CHEMBL1085155
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25F3N4O2

Additional synonyms for CHEMBL1085155 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nccc1c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2OCCN4CCCC4
Standard InChI InChI=1S/C24H25F3N4O2/c1-30-21(9-10-28-30)20-16-19(7-8-22(20 ...
Download InChI
Standard InChI Key UAVPDLMEWXPRFE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1085155

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
458.5 458.193 4.83 7 59.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.41 9.56 3.53 1.41 3 33 0.55

Structural Alerts

There are no structural alerts for CHEMBL1085155

Compound Cross References

ChemSpider ChemSpider:UAVPDLMEWXPRFE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1085155



BindingDB 50319414
IBM Patent System 90CBB5EB1AF4ED4C74B854769E3F4F93
PubChem 11612277
PubChem: Thomson Pharma 16715131
SureChEMBL SCHEMBL1165526
ZINC ZINC000035935042

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