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Compound Detail

CHEMBL4116890

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C[N+](C)(C)CCc1ccc2ccoc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116890
Phase Preclinical
Structure Type MOL
InChI Key GYWKQZUBLIAUNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
2.68
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.70
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 C13H18NO+
MW 204.29
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 1.21

Data from ChEMBL 36 via Core Engine