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Compound Detail

CHEMBL3559197

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Brc1ccc(C[n+]2ccc(-c3cc4ccccc4o3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559197
Phase Preclinical
Structure Type MOL
InChI Key BSYGMMQIIILMEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
5.20
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.46
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 C20H15BrNO+
MW 365.25
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine