COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052560
Chemical Name: 7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCN(CC1)c1ccccc1F)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 400.41
Empirical Formula: C19H21FN6O3

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 1.082
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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