COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056105
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCC(CC1)Cc1ccccc1)O

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Molecular Weight: 516.62
Empirical Formula: C27H28N6O3S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.737
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 6

     

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