COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057810
Chemical Name: 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(SC/C=C(/Cl)\C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 328.82
Empirical Formula: C13H17ClN4O2S

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 3.729
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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