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Compound Detail

CHEMBL3140090

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C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2

Basic Information

ChEMBL ID CHEMBL3140090
Phase Preclinical
Structure Type MOL
InChI Key ISWOZYSXNVNFIH-AERCQKQUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.84
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F2NO+
MW 358.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine