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Compound Detail

CHEMBL1200047

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O=C(O)CSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1

Basic Information

ChEMBL ID CHEMBL1200047
Phase Preclinical
Structure Type MOL
InChI Key VFHSQXNKLNBQPZ-UUOKUNOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.3
MW (Da)
-1.73
ALogP
12
HBA
6
HBD
235.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O13P2S
MW 478.27
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 1.13

Data from ChEMBL 36 via Core Engine