COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596050
Chemical Name: 8-(azepan-1-yl)-6-hydroxy-3-methyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1

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Molecular Weight: 415.52
Empirical Formula: C19H25N7O2S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 1.926
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 125
Number of rings: 4

     

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