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Compound Detail

CHEMBL1205797

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CC(C)c1sc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1205797
Phase Preclinical
Structure Type MOL
InChI Key RMSXTVRZGZXJKJ-LKWCPCFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.0
MW (Da)
6.60
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClFO4S
MW 489.01
Aromatic Rings 3
Heavy Atoms 33

Data from ChEMBL 36 via Core Engine