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Compound Detail

CHEMBL3546881

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COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)[C@@H](N)C(C)C)c(-c3cccc(F)c3)oc12

Basic Information

ChEMBL ID CHEMBL3546881
Phase Preclinical
Structure Type MOL
InChI Key ZFUZYDOHCBIQGT-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
4.68
ALogP
9
HBA
1
HBD
119.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30FNO8
MW 539.56
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine