COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL267912
Chemical Name: 6-(4-chlorophenyl)-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
Smiles: Clc1ccc(cc1)c1nn2c(SCC(=O)c3ccc(cc3)[N+](=O)[O-])nnc2[nH]c1=O

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Molecular Weight: 442.84
Empirical Formula: C18H11ClN6O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.094
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 160
Number of rings: 4

     

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