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Compound Detail

CHEMBL1204918

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COC(=O)/C=C1/C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204918
Phase Preclinical
Structure Type MOL
InChI Key AOZHCLHLXLZFCC-CPWLGJMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
-0.10
ALogP
7
HBA
1
HBD
110.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO7S
MW 327.31
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine