COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040548
Chemical Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCCC1)O

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Molecular Weight: 412.47
Empirical Formula: C19H20N6O3S

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 2.181
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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