COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509118
Chemical Name: 1-[6-(2-hydroxy-3,5-dinitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 470.42
Empirical Formula: C19H14N6O7S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.075
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 205
Number of rings: 4

     

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