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Compound Detail

CHEMBL1205814

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CC(C)c1sc(C2CCCC2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1205814
Phase Preclinical
Structure Type MOL
InChI Key XFKYWJPYYRTYBR-XICOBVEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
5.94
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31FO4S
MW 446.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.24

Data from ChEMBL 36 via Core Engine