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Compound Detail

CHEMBL3546959

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C=C(F)COc1ccc(F)cc1[C@@H]1C[C@H]1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546959
Phase Preclinical
Structure Type MOL
InChI Key VGIMAPIGKWUQIJ-GXSJLCMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.75
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15F2NO
MW 239.26
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine