COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093807
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SCC(O)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

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Molecular Weight: 440.91
Empirical Formula: C18H21ClN4O5S

Physical State: Dry powder
Available Amount: 381 mg

Lipinsky:
logP: 2.442
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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