COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448511
Chemical Name: 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-methylpiperazine-1-carbothioamide
Smiles: CNC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 337.41
Empirical Formula: C13H19N7O2S

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: -1.037
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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