COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980123
Chemical Name: 1-{6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Smiles: C=CCOc1c(Br)cc(cc1OCC)C1Oc2nc(SC)nnc2c2c(N1C(=O)CCC)cccc2

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Molecular Weight: 571.49
Empirical Formula: C26H27BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.386
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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