COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521201
Chemical Name: 1-[6-(4-bromo-5-iodofuran-2-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: C=CCSc1nnc2c(n1)OC(c1cc(c(o1)I)Br)N(c1c2cccc1)C(=O)C

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Molecular Weight: 585.22
Empirical Formula: C19H14BrIN4O3S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.593
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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