COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048599
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 471.61
Empirical Formula: C21H25N7O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.41
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 143
Number of rings: 5

     

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