COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047601
Chemical Name: 6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cccc(c1)Cn1c(SCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 415.52
Empirical Formula: C20H25N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.277
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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