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Compound Detail

CHEMBL5412699

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CCN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412699
Phase Preclinical
Structure Type MOL
InChI Key XINYWEARDFXTMK-WVSUBDOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.5
MW (Da)
0.35
ALogP
11
HBA
4
HBD
168.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26F3N7O5S
MW 545.54
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
38516599 10.1039/d3md00737e Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine