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Compound Detail

CHEMBL4596628

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O=S(=O)(/C=C/c1ncccc1F)c1ccccc1OCCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596628
Phase Preclinical
Structure Type MOL
InChI Key HFJSWDZLNVWVRV-LZYBPNLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
2.77
ALogP
6
HBA
0
HBD
68.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN2O4S
MW 406.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine