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Compound Detail

CHEMBL4595526

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COc1ccc(-c2coc3cc(OCCN)ccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595526
Phase Preclinical
Structure Type MOL
InChI Key ZVOAGBBOFMGDDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.81
ALogP
5
HBA
1
HBD
74.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO4
MW 311.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine