ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425414
CHEMBL2425414
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H10F3N5O2S2

Additional synonyms for CHEMBL2425414 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(NC(=S)NNC=C2C(=O)NC(=S)NC2=O)cc1
Standard InChI InChI=1S/C13H10F3N5O2S2/c14-13(15,16)6-1-3-7(4-2-6)18-12(25) ...
Download InChI
Standard InChI Key NOURKCSQRDBPPM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425414

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
389.4 389.0228 0.91 3 94.29 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.68 .19 1.26 -1.17 1 25 0.23

Structural Alerts

There are 12 structural alerts for CHEMBL2425414. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NOURKCSQRDBPPM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425414



PubChem 73356851
ZINC ZINC000096930165

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