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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL322762
CHEMBL322762
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H13F3N2O2

Additional synonyms for CHEMBL322762 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[nH]cc(CCNC(=O)C(F)(F)F)c2c1
Standard InChI InChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17 ...
Download InChI
Standard InChI Key SFZDYZZYPDGADB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL322762

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
286.3 286.0929 2.4 4 54.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.19 - 2.32 2.32 2 20 0.91

Structural Alerts

There are 3 structural alerts for CHEMBL322762. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFZDYZZYPDGADB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL322762



BindingDB 50408555
eMolecules 6697782
IBM Patent System 5847C231F14B06C9C91AEAD128C577AF
Mcule MCULE-7421610440
MolPort MolPort-001-736-545
Nikkaji J622.380J
PubChem 594980
PubChem: Thomson Pharma 15022349
SureChEMBL SCHEMBL9121109
ZINC ZINC000000008252

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