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Compound Detail

CHEMBL3558429

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CCCCCCCCCCCCCCCC[n+]1cccc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558429
Phase Preclinical
Structure Type MOL
InChI Key DUNTVCGNJUQDBL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.6
MW (Da)
7.31
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40NO+
MW 370.60
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine