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Compound Detail

CHEMBL4302334

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CCN1/C(=C/c2ccc3cc(F)ccc3[n+]2CC)C=Cc2ccccc21

Basic Information

ChEMBL ID CHEMBL4302334
Phase Preclinical
Structure Type MOL
InChI Key PADZNSHDVNUHCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
5.18
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22FN2+
MW 345.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine