COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720232
Chemical Name: {[1-(2-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetonitrile
Smiles: N#CCSc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl

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Molecular Weight: 375.84
Empirical Formula: C16H14ClN5O2S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.188
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 107
Number of rings: 3

     

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