COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098806
Chemical Name: 3-methyl-7-(4-methylbenzyl)-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 465.49
Empirical Formula: C22H19N5O5S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.1
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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