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Compound Detail

CHEMBL309205

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Cc1cc(-c2cccc3ccccc23)n[n+](CCCC(=O)O)c1N

Basic Information

ChEMBL ID CHEMBL309205
Phase Preclinical
Structure Type MOL
InChI Key QFFBKFLSHAJZQA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.94
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.71
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 C19H20N3O2+
MW 322.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine