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Compound Detail

CHEMBL4596297

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CCN(CC)CCC(=O)c1cc2ccc(O)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596297
Phase Preclinical
Structure Type MOL
InChI Key BHUCCQCINUHXOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.41
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO4
MW 289.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine