COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679753
Chemical Name: 7-(3,4-diethoxybenzyl)-8-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1cc(ccc1OCC)Cn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 610.71
Empirical Formula: C30H35FN6O5S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.855
Rotatable bonds: 9
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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