COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847692
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(o1)cccc3)c(n2)N1CCCCC1

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Molecular Weight: 440.53
Empirical Formula: C21H24N6O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.806
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 5

     

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