COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037645
Chemical Name: ethyl4-{7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2c(n1CCSc1nc3c(s1)cccc3)c(O)nc(=O)n2C

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Molecular Weight: 515.62
Empirical Formula: C22H25N7O4S2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 1.916
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 169
Number of rings: 5

     

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