COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851183
Chemical Name: 1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1

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Molecular Weight: 492.61
Empirical Formula: C24H28N8O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.62
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 5

     

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