COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL269131
Chemical Name: 1,1'-[3-cyclohexyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]dipropan-1-one
Smiles: CCC(=O)n1c(c2cccc(c2)[N+](=O)[O-])c(sc2n1c(nn2)C1CCCCC1)C(=O)CC

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Molecular Weight: 455.54
Empirical Formula: C22H25N5O4S

Available Amount: 0 mg

Lipinsky:
logP: 4.469
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 139
Number of rings: 4

     

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