4'-Thio-2'-deoxycytidine
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Molecular Identity
4'-Thio-2'-deoxycytidine
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
PubChem CID: 10037425
2D Structure
Properties
C9H13N3O3S
Molecular Formula
243.29
Molecular Weight
g/mol
243.0678
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
358
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(SC1N2C=CC(=NC2=O)N)CO)OIsomeric SMILES
SMILES: C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)OSynonyms(17)
4'-Thio-2'-deoxycytidineTdcydL76O0M313F4'-thio-2'-deoxycytidine, (-)-NSC-764276UNII-L76O0M313Forb2567262SCHEMBL2401955CHEMBL1169490SCHEMBL28549117MOMUJZRKXYLWMH-SHYZEUOFSA-N4-AMINO-1-[(2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)THIOLAN-2-YL]PYRIMIDIN-2-ONEPD202480T854051-(2-deoxy-4-thio-beta-D-ribofuranosyl)cytosine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4'-Thio-2'-deoxycytidine
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