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Compound Detail

CHEMBL4595564

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COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595564
Phase Preclinical
Structure Type MOL
InChI Key AWLOZWRUIWUAKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.47
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO3
MW 377.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine