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Compound Detail

CHEMBL1178303

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OCC[n+]1ccc(/C=C/c2cccc3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL1178303
Phase Preclinical
Structure Type MOL
InChI Key WNTAGROULYXPJU-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.29
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18NO+
MW 276.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.09

Data from ChEMBL 36 via Core Engine