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Compound Detail

CHEMBL1963026

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O=S(=O)(c1cc(F)cc(F)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963026
Phase Preclinical
Structure Type MOL
InChI Key FECXTVAJHWAPLK-RDJZCZTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.64
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F2NO3S
MW 351.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine