COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596764
Chemical Name: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 493.01
Empirical Formula: C26H29ClN6O2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.244
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 5

     

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