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Compound Detail

CHEMBL1198062

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C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198062
Phase Preclinical
Structure Type MOL
InChI Key XXIOWTNNQMLLIA-RKDXNWHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

174.3
MW (Da)
0.50
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H20NO2+
MW 174.26
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine