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Compound Detail

CHEMBL1205485

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CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1205485
Phase Preclinical
Structure Type MOL
InChI Key UFSXOKMGOHBXIH-VQCQRNETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
5.87
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28F2O5S
MW 502.58
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine