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Compound Detail

CHEMBL4116914

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COc1ccc(F)cc1C1CC1CNCc1cccc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116914
Phase Preclinical
Structure Type MOL
InChI Key HUYXHPIKFKAZHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.94
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FNOS
MW 341.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine