COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482268
Chemical Name: 4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 441.56
Empirical Formula: C21H27N7O2S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 1.392
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 109
Number of rings: 4

     

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