COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320218
Chemical Name: N-(3-chloro-4-fluorophenyl)-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(c(c1)Cl)F

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Molecular Weight: 451.91
Empirical Formula: C18H19ClFN7O2S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 1.932
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 4

     

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