COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087130
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(decylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 427.01
Empirical Formula: C20H31ClN4O2S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 7.448
Rotatable bonds: 12
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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