COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051734
Chemical Name: 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: [O-][N+](=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

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Molecular Weight: 393.47
Empirical Formula: C20H19N5O2S

Physical State: Dry powder
Available Amount: 251 mg

Lipinsky:
logP: 5.291
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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