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Compound Detail

CHEMBL1204965

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C=C=C1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204965
Phase Preclinical
Structure Type MOL
InChI Key ZLYQUOKXGNQRIC-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
-0.80
ALogP
6
HBA
1
HBD
118.0
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 C12H11NO7S
MW 313.29
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine