ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252785
CHEMBL252785
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H17F3N2O3

Additional synonyms for CHEMBL252785 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CNC(=O)c1ccc(OC(F)(F)F)cc1)c2c[nH]c3ccc(O)cc23
Standard InChI InChI=1S/C19H17F3N2O3/c1-11(16-10-23-17-7-4-13(25)8-15(16)17 ...
Download InChI
Standard InChI Key AUYHTGSUOKGCJD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252785

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
378.4 378.1191 4.31 5 74.35 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.03 - 2.69 2.69 3 27 0.62

Structural Alerts

There are no structural alerts for CHEMBL252785

Compound Cross References

ChemSpider ChemSpider:AUYHTGSUOKGCJD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252785



BindingDB 50231059
PubChem 44447668

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