COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008520
Chemical Name: 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 444.96
Empirical Formula: C22H29ClN6O2

Available Amount: 0 mg

Lipinsky:
logP: 3.114
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 73
Number of rings: 4

     

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