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Compound Detail

CHEMBL3917796

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COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C(O)C2CCC2)cc1

Basic Information

ChEMBL ID CHEMBL3917796
Phase Preclinical
Structure Type MOL
InChI Key QYCBHEAWHUGSSG-OWAXCVDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
4.87
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32O4
MW 384.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.03

Data from ChEMBL 36 via Core Engine