COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006521
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(s1)cccc3)c(n2)N1CCOCC1

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Molecular Weight: 458.57
Empirical Formula: C20H22N6O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.506
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 137
Number of rings: 5

     

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