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Compound Detail

CHEMBL4597035

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

Basic Information

ChEMBL ID CHEMBL4597035
Phase Preclinical
Structure Type MOL
InChI Key STFCFUPESVSTBX-GHRJBCJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
4.25
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.65
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 C21H33NO2
MW 331.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.79

Data from ChEMBL 36 via Core Engine