COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521563
Chemical Name: 1-[6-ethyl-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Smiles: CCCC(=O)N1C(CC)Oc2c(c3c1cccc3)nnc(n2)SCC

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Molecular Weight: 358.46
Empirical Formula: C18H22N4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.47
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 3

     

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