COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509404
Chemical Name: 1-[3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: COc1c(ccc(c1OC)OC)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2

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Molecular Weight: 454.51
Empirical Formula: C22H22N4O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.997
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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