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Compound Detail

CHEMBL1208057

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O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2OS(=O)(=O)O)c2cc3c(c(O)c21)OCO3

Basic Information

ChEMBL ID CHEMBL1208057
Phase Preclinical
Structure Type MOL
InChI Key QBTLCSMCJILREI-SVKBUJEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)
-1.46
ALogP
9
HBA
5
HBD
171.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO10S
MW 387.32
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 2.25

Data from ChEMBL 36 via Core Engine