COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568863
Chemical Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-pentyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCn1c(Sc2nc3c(s2)cccc3)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 401.51
Empirical Formula: C18H19N5O2S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.978
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 137
Number of rings: 4

     

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