COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL269693
Chemical Name: 3-(3,4-dimethoxybenzyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cc(ccc1OC)Cc1nnc2n1N=C(CS2)c1cccc(c1)[N+](=O)[O-]

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Saltdata: HBr
Molecular Weight: 411.44
Empirical Formula: C19H17N5O4S

Available Amount: 0 mg

Lipinsky:
logP: 2.927
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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