COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521937
Chemical Name: 1-[6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-[(2-chlorobenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCOc1c(Br)cc(cc1OC)C1Oc2nc(nnc2c2c(N1C(=O)C)cccc2)SCc1ccccc1Cl

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Molecular Weight: 627.95
Empirical Formula: C28H24BrClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.889
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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