COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005954
Chemical Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCCN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 427.57
Empirical Formula: C22H29N5O2S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 4.993
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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