COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509467
Chemical Name: 1-[10-bromo-3-(methylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CSc1nnc2c(n1)OC(c1cc3OCOc3cc1[N+](=O)[O-])N(c1c2cc(Br)cc1)C(=O)C

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Molecular Weight: 532.33
Empirical Formula: C20H14BrN5O6S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 4.33
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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