COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521112
Chemical Name: 1-{6-[4-(benzyloxy)-3-ethoxy-5-iodophenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Smiles: CCOc1cc(cc(c1OCc1ccccc1)I)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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Molecular Weight: 654.53
Empirical Formula: C29H27IN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.938
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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