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Compound Detail

CHEMBL4595027

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CCCCCC/C=C/c1ccc(CO[C@@H]2CN[C@@H](CO)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595027
Phase Preclinical
Structure Type MOL
InChI Key ARCANSMCNNNTSY-CLJKYYQGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.5
MW (Da)
3.91
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO2
MW 317.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.25

Data from ChEMBL 36 via Core Engine