COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054089
Chemical Name: 8-(azepan-1-yl)-6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: Cc1nnc(s1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1

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Molecular Weight: 421.55
Empirical Formula: C17H23N7O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.844
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 153
Number of rings: 4

     

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