COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509241
Chemical Name: 1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1Br

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Molecular Weight: 557.47
Empirical Formula: C25H25BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.981
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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