COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840016
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1C/C=C(/Cl)\C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 300.77
Empirical Formula: C11H13ClN4O2S

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 2.666
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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