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Compound Detail

CHEMBL325248

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COC(=O)C12CC(c3ccoc3)(c3ccoc3)C(c3ccccc31)c1cccc[n+]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325248
Phase Preclinical
Structure Type MOL
InChI Key NAROEDASJVPPEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
3.91
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20NO4+
MW 398.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.69

Data from ChEMBL 36 via Core Engine