COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031335
Chemical Name: 8,8'-(ethane-1,2-diyldisulfanediyl)bis{7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione}
Smiles: C/C(=C/Cn1c(SCCSc2nc3c(n2C/C=C(\Cl)/C)c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 599.52
Empirical Formula: C22H24Cl2N8O4S2

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.424
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 185
Number of rings: 4

     

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