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Compound Detail

CHEMBL4594830

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O=S(=O)(O)c1cc(S(=O)(=O)O)c2[nH]c3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2c1

Basic Information

ChEMBL ID CHEMBL4594830
Phase Preclinical
Structure Type MOL
InChI Key LBHWDDOYJFYHTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
0.31
ALogP
8
HBA
5
HBD
233.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9NO12S4
MW 487.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine