ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2347114
CHEMBL2347114
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13F3N4O2

Additional synonyms for CHEMBL2347114 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc3ccccc3)C(F)(F)F
Standard InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21( ...
Download InChI
Standard InChI Key FCZFCNYOTZFYPU-VIFPVBQESA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2347114

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
326.3 326.0991 1.82 3 84.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.08 6.72 -.43 -.57 2 23 0.84

Structural Alerts

There are 2 structural alerts for CHEMBL2347114. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCZFCNYOTZFYPU-VIFPVBQESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2347114



BindingDB 107722
PubChem 71059651
SureChEMBL SCHEMBL14053751
ZINC ZINC000095604972

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