COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL269002
Chemical Name: 1,1'-[3-(4-methoxybenzyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]diethanone
Smiles: COc1ccc(cc1)Cc1nnc2n1n(C(=O)C)c(c(s2)C(=O)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 465.49
Empirical Formula: C22H19N5O5S

Available Amount: 0 mg

Lipinsky:
logP: 3.039
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 148
Number of rings: 4

     

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