COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521236
Chemical Name: 1-[3-(ethylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1sccc1C

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Molecular Weight: 412.54
Empirical Formula: C20H20N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.759
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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