COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007039
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CC(C)CN(C1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)n(c(=O)n2C)C

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Molecular Weight: 468.58
Empirical Formula: C23H28N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.79
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 5

     

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