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Compound Detail

CHEMBL3915040

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CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCCCCC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL3915040
Phase Preclinical
Structure Type MOL
InChI Key VSHONWDMNVODGL-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
3.75
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO4
MW 347.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine