COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042799
Chemical Name: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)CSc1nc2c(s1)cccc2

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Molecular Weight: 456.59
Empirical Formula: C21H24N6O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.991
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 140
Number of rings: 5

     

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