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Compound Detail

CHEMBL1206766

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C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)O)N2C(=O)/C(=C/C(=O)O)C2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL1206766
Phase Preclinical
Structure Type MOL
InChI Key UOCUZLXUMDFQKM-WHFDUDPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
-1.00
ALogP
9
HBA
4
HBD
195.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO11S
MW 455.40
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.55

Data from ChEMBL 36 via Core Engine