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Compound Detail

CHEMBL1182896

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C[n+]1ccc(-c2cccc(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182896
Phase Preclinical
Structure Type MOL
InChI Key AQJFUWGGPRYFRC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
1.88
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12NO+
MW 186.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine