COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262624
Chemical Name: N-(4-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)Nc1ccc(cc1)C(=O)C

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Molecular Weight: 441.51
Empirical Formula: C20H23N7O3S

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 0.225
Rotatable bonds: 0
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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