COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509205
Chemical Name: 1-[3-(methylsulfanyl)-6-(2,4,6-tribromo-3-hydroxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(Br)cc(c(c1Br)O)Br

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Molecular Weight: 617.12
Empirical Formula: C19H13Br3N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.666
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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