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Compound Detail

CHEMBL1453694

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CCCCC1(C(=O)OCC)CC(CN2CCOCC2)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1453694
Phase Preclinical
Structure Type MOL
InChI Key HHJCITZXPVTSHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
1.37
ALogP
6
HBA
0
HBD
65.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO5
MW 313.39
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine