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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1242629
CHEMBL1242629
Compound Name TECOVIRIMAT
ChEMBL Synonyms ST-246
Max Phase 0
Trade Names
Molecular Formula C19H15F3N2O3

Additional synonyms for CHEMBL1242629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(cc1)C(=O)NN2C(=O)[C@@H]3C4C=CC([C@H]5C[C@@H]45 ...
Download SMILES
Standard InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24 ...
Download InChI
Standard InChI Key CSKDFZIMJXRJGH-KUAIZNHUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1242629

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
376.3 376.1035 2.4 2 66.48 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.56 - 1 27 0.64

Structural Alerts

There are 7 structural alerts for CHEMBL1242629. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSKDFZIMJXRJGH-KUAIZNHUSA-N
Wikipedia Tecovirimat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1242629



ACToR 869572-92-9
PubChem 11485687
PubChem: Thomson Pharma 16587299
SureChEMBL SCHEMBL14601849

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