COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262525
Chemical Name: 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(NCCSc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 469.99
Empirical Formula: C23H24ClN5O2S

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 5.879
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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