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Compound Detail

CHEMBL3559219

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COc1cccc2cc(-c3cc[n+](Cc4cccc(Br)c4)cc3)oc12

Basic Information

ChEMBL ID CHEMBL3559219
Phase Preclinical
Structure Type MOL
InChI Key WRACFKBCGQXVPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
5.21
ALogP
2
HBA
0
HBD
26.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17BrNO2+
MW 395.28
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine