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Compound Detail

CHEMBL3974000

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CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)OC)c2)CCC1

Basic Information

ChEMBL ID CHEMBL3974000
Phase Preclinical
Structure Type MOL
InChI Key JZCLXOPFWAABCG-QIDUYIHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
6.04
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38O4
MW 426.60
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 1.42

Data from ChEMBL 36 via Core Engine