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Compound Detail

CHEMBL6070154

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COc1cc(SCCC(F)(F)F)c(OC)cc1CCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6070154
Phase Preclinical
Structure Type MOL
InChI Key CRXVWXDROHILER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.25
ALogP
4
HBA
1
HBD
44.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18F3NO2S
MW 309.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine