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Compound Detail

CHEMBL4598041

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CCCCCCc1ccc(CO[C@@H]2CN[C@@H](CO)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598041
Phase Preclinical
Structure Type MOL
InChI Key DRFFXPZZDMNSLG-MSOLQXFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.05
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29NO2
MW 291.44
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.86

Data from ChEMBL 36 via Core Engine