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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425413
CHEMBL2425413
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H10F3N5O3S

Additional synonyms for CHEMBL2425413 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1cccc(NC(=S)NNC=C2C(=O)NC(=O)NC2=O)c1
Standard InChI InChI=1S/C13H10F3N5O3S/c14-13(15,16)6-2-1-3-7(4-6)18-12(25)2 ...
Download InChI
Standard InChI Key ZKAWKZGZCNSSGH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425413

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
373.3 373.0456 0.75 3 111.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 8 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.65 .21 1.25 .44 1 25 0.23

Structural Alerts

There are 12 structural alerts for CHEMBL2425413. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKAWKZGZCNSSGH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425413



PubChem 73353780
ZINC ZINC000096930164

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