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Compound Detail

CHEMBL1205197

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COC(=O)/C=C1/C(=O)N2C1S(=O)(=O)[C@@](C)(COC(C)=O)[C@@H]2C(=O)O

Basic Information

ChEMBL ID CHEMBL1205197
Phase Preclinical
Structure Type MOL
InChI Key CCZZGYOJQSVVMQ-IPPICDSHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.3
MW (Da)
-1.54
ALogP
8
HBA
1
HBD
144.3
PSA (Ų)
0.36
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 C13H15NO9S
MW 361.33
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine