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Compound Detail

CHEMBL332014

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Brc1ccc(Br)c2c1C1CC(c3ccoc3)(c3ccoc3)C2c2cccc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332014
Phase Preclinical
Structure Type MOL
InChI Key HWMUKYQTXDMCCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

498.2
MW (Da)
6.11
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16Br2NO2+
MW 498.19
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.51

Data from ChEMBL 36 via Core Engine