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Compound Detail

CHEMBL3306936

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CC(=O)OCC[n+]1c2ccccc2cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306936
Phase Preclinical
Structure Type MOL
InChI Key LKQULFGNNPKDKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.84
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.41
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 C17H16NO2+
MW 266.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine