COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK852034
Chemical Name: 8-[benzyl(methyl)amino]-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N(Cc1ccccc1)C

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Molecular Weight: 451.55
Empirical Formula: C22H25N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.43
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 4

     

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