COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262617
Chemical Name: N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Smiles: COc1ccc(cc1NC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)OC

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Molecular Weight: 459.53
Empirical Formula: C20H25N7O4S

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 0.553
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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