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Compound Detail

CHEMBL4211818

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CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1

Basic Information

ChEMBL ID CHEMBL4211818
Phase Preclinical
Structure Type MOL
InChI Key PVDNMYIFAZVSLI-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3N2O5S
MW 472.49
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.80

Literature References

Data from ChEMBL 36 via Core Engine