COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007783
Chemical Name: ethyl4-{7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)[nH]c(=O)n2C

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Molecular Weight: 515.62
Empirical Formula: C22H25N7O4S2

Available Amount: 0 mg

Lipinsky:
logP: 2.267
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 166
Number of rings: 5

     

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