COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585603
Chemical Name: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C)C

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Molecular Weight: 458.95
Empirical Formula: C22H27ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.237
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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