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Compound Detail

CHEMBL3140098

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Cc1c(F)cccc1C(O)(C[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C)c1cccc(F)c1C

Basic Information

ChEMBL ID CHEMBL3140098
Phase Preclinical
Structure Type MOL
InChI Key XEXMASOMLCDSNZ-ACDBMABISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.23
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32F2NO+
MW 400.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine