COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452107
Chemical Name: 6-tert-butyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc2n1nc(c(=O)[nH]2)C(C)(C)C

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Molecular Weight: 388.41
Empirical Formula: C16H16N6O4S

Available Amount: 0 mg

Lipinsky:
logP: 1.974
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 160
Number of rings: 3

     

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