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Compound Detail

CHEMBL4116259

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C[N+](C)(C)CCCc1ccc2ccoc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116259
Phase Preclinical
Structure Type MOL
InChI Key HGBBCFWNNDJNFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.07
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.72
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 C14H20NO+
MW 218.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine