COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521753
Chemical Name: 1-[6-(3-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCCSc1nnc2c(n1)OC(c1cccc(c1)F)N(c1c2cccc1)C(=O)C

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Molecular Weight: 410.47
Empirical Formula: C21H19FN4O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.672
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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