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Compound Detail

CHEMBL4802990

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Cc1ccc(SC[C@@H]2[C@@H](O)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)cc1C

Basic Information

ChEMBL ID CHEMBL4802990
Phase Preclinical
Structure Type MOL
InChI Key IJUVTLSGLODULR-MSZYXCAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
1.12
ALogP
5
HBA
4
HBD
120.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO5S
MW 351.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.21

Data from ChEMBL 36 via Core Engine