COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544821
Chemical Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 456.57
Empirical Formula: C26H24N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.584
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 5

     

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