COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003696
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

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Molecular Weight: 452.96
Empirical Formula: C20H25ClN4O4S

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 4.663
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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