COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048705
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 549.68
Empirical Formula: C26H27N7O3S2

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 2.995
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 152
Number of rings: 6

     

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