COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509530
Chemical Name: 1-[6-(4-ethoxy-3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCOc1ccc(cc1OC)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 3.826
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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