COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521004
Chemical Name: 1-[6-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCOc1cc(cc(c1OC)Br)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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Molecular Weight: 531.43
Empirical Formula: C23H23BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.049
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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