COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008573
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=O)[nH]c(=O)n2C

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Molecular Weight: 455.54
Empirical Formula: C21H25N7O3S

Available Amount: 0 mg

Lipinsky:
logP: 2.514
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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