COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509341
Chemical Name: 1-[6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCOc1ccc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)[N+](=O)[O-]

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Molecular Weight: 453.48
Empirical Formula: C21H19N5O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.901
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 148
Number of rings: 4

     

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