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Compound Detail

CHEMBL1206742

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C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S1(=O)=O

Basic Information

ChEMBL ID CHEMBL1206742
Phase Preclinical
Structure Type MOL
InChI Key YNTFTTQGRLUAOE-VEGPFOSISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
0.47
ALogP
9
HBA
3
HBD
171.4
PSA (Ų)
0.22
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 C22H20N2O9S
MW 488.47
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine