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Compound Detail

CHEMBL4597034

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CCCCCCCCCCCCCCc1ccc(CO[C@@H]2CN[C@@H](CO)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597034
Phase Preclinical
Structure Type MOL
InChI Key QUHRCNRDGKUFCY-FTJBHMTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
6.17
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H45NO2
MW 403.65
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.62

Data from ChEMBL 36 via Core Engine