COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980051
Chemical Name: 1-[6-(2-bromo-5-ethoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OCC)ccc1Br

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Molecular Weight: 529.46
Empirical Formula: C24H25BrN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.63
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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