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Compound Detail

CHEMBL3121576

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CCOC(=O)c1c(C[S+]([O-])c2ccc(F)c(F)c2)n(C)c2cc(Br)c(O)c(Cn3ccnc3C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3121576
Phase Preclinical
Structure Type MOL
InChI Key CSXGPPHJUHQYNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

566.4
MW (Da)
4.96
ALogP
7
HBA
1
HBD
92.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22BrF2N3O4S
MW 566.42
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
24549242 10.1016/j.ejmech.2014.01.046 Hepatitis B virus 1

Data from ChEMBL 36 via Core Engine