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Compound Detail

CHEMBL3754819

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CCCCCCCCCCCCCCCCCC[n+]1ccc2c(O)cccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754819
Phase Preclinical
Structure Type MOL
InChI Key HRLMSTAOSNSHHN-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.7
MW (Da)
8.09
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H44NO+
MW 398.66
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine