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Compound Detail

CHEMBL1205183

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CC(=O)OC[C@@]1(C)[C@H](C(=O)O)N2C(=O)/C(=C/C(=O)O)C2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205183
Phase Preclinical
Structure Type MOL
InChI Key WNSVUMZKPWSNSA-WJAXTWIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
-1.63
ALogP
7
HBA
2
HBD
155.3
PSA (Ų)
0.35
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 C12H13NO9S
MW 347.30
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.73

Data from ChEMBL 36 via Core Engine