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Compound Detail

CHEMBL1204645

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CC(=O)OCC1=C(C(=O)O)N2C(=O)C(=C(Br)Br)[C@H]2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204645
Phase Preclinical
Structure Type MOL
InChI Key PXOKVALSRAGFAH-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.1
MW (Da)
0.49
ALogP
6
HBA
1
HBD
118.0
PSA (Ų)
0.37
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 C11H9Br2NO7S
MW 459.07
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine