COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408774
Chemical Name: methyl2-{[2-(5-hydroxy-3,6-dihydropyrazin-1(2H)-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC1=C(C(=O)C1=O)N1CCN=C(C1)O

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Molecular Weight: 329.31
Empirical Formula: C16H15N3O5

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 0.345
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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