COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148642
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(SCCC(C)C)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)Cl

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Molecular Weight: 452.96
Empirical Formula: C20H25ClN4O4S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.313
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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