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Compound Detail

CHEMBL4803084

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N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@H]1CSCc1ccc(Cl)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL4803084
Phase Preclinical
Structure Type MOL
InChI Key OSPUMEGCPJZZKB-PMVMBDLWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.3
MW (Da)
1.95
ALogP
5
HBA
4
HBD
120.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17Cl2NO5S
MW 406.29
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine