COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK529556
Chemical Name: 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(SCC(CCl)O)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 348.81
Empirical Formula: C12H17ClN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.711
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 2

     

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