COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002008
Chemical Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 493.01
Empirical Formula: C26H29ClN6O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.668
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 64
Number of rings: 5

     

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