COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057555
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCN(CC1)c1ccccc1)O

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Molecular Weight: 503.58
Empirical Formula: C25H25N7O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.944
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 128
Number of rings: 6

     

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