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Compound Detail

CHEMBL5027986

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CCn1cc([C+](c2ccc(C(F)(F)F)cc2)c2c[nH]c3ccccc23)c2ccccc21

Basic Information

ChEMBL ID CHEMBL5027986
Phase Preclinical
Structure Type MOL
InChI Key BIXDZUJNLQWVRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
7.18
ALogP
1
HBA
1
HBD
20.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F3N2+
MW 417.45
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine