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Compound Detail

CHEMBL1185936

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COc1ccc([N+](C)(C)Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185936
Phase Preclinical
Structure Type MOL
InChI Key VBSOBZRCUHBIDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.46
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.75
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 C16H20NO+
MW 242.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.09

Data from ChEMBL 36 via Core Engine