COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003284
Chemical Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOCCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 440.55
Empirical Formula: C23H32N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.784
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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