COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK662721
Chemical Name: 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1Cc1cccc(c1)I)c(=O)n(c(=O)n2C)C

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Molecular Weight: 456.31
Empirical Formula: C16H17IN4O2S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 4.68
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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