COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521815
Chemical Name: 1-[3-(ethylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Smiles: CCCC(=O)N1c2ccccc2c2c(OC1c1cccs1)nc(nn2)SCC

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Molecular Weight: 412.54
Empirical Formula: C20H20N4O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.83
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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