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Compound Detail

CHEMBL1237125

THIOINOSINE MONOPHOSPHATE
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O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1237125
Name THIOINOSINE MONOPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key ZKRFOXLVOKTUTA-KQYNXXCUSA-N

Known Names

5'-inosinic acid, 6-thio- 6-mercaptopurine ribonucleotide 6-mercaptopurine ribotide 6-thio-imp 6-thioinosinic acid C04646 J213.539F NSC-520722 Thioinosine monophosphate Thioinosinic acid
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
10
Known Names

Molecular Properties

364.3
MW (Da)
-1.16
ALogP
10
HBA
5
HBD
160.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Single Enantiomer
USAN Stem -nosine

Extended Properties

Molecular Formula C10H13N4O7PS
MW 364.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.02

Data from ChEMBL 36 via Core Engine