COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521164
Chemical Name: 1-[6-(3,5-dibromo-2-ethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCOc1c(Br)cc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2)Br

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Molecular Weight: 580.3
Empirical Formula: C22H20Br2N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.093
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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