COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262625
Chemical Name: methyl4-({[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]carbonothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 457.51
Empirical Formula: C20H23N7O4S

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 0.756
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 146
Number of rings: 4

     

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