COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037127
Chemical Name: ethyl2-{[3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 402.47
Empirical Formula: C19H22N4O4S

Physical State: Dry powder
Available Amount: 378 mg

Lipinsky:
logP: 3.845
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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