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Compound Detail

CHEMBL4116455

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COc1cccc(/C=C/C[N+](C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116455
Phase Preclinical
Structure Type MOL
InChI Key YMADCXDGPVSJHZ-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
2.41
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.69
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 C13H20NO+
MW 206.31
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.26

Data from ChEMBL 36 via Core Engine