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Compound Detail

CHEMBL1208451

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Nc1c(S(=O)(=O)O)cc(Nc2ccc(Br)cc2)c2c1C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208451
Phase Preclinical
Structure Type MOL
InChI Key AUTSWDYUCALUAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.3
MW (Da)
3.80
ALogP
6
HBA
3
HBD
126.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13BrN2O5S
MW 473.30
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine