COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581444
Chemical Name: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(3,5-dimethylpiperidin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 484.65
Empirical Formula: C23H28N6O2S2

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 4.193
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 140
Number of rings: 5

     

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