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Compound Detail

CHEMBL4117601

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COc1ccccc1C[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117601
Phase Preclinical
Structure Type MOL
InChI Key KXCNJGQGYNMFGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

180.3
MW (Da)
1.90
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.65
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 C11H18NO+
MW 180.27
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine