COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590535
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC1CCCN(C1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 456.59
Empirical Formula: C21H24N6O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.484
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 140
Number of rings: 5

     

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