COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK979967
Chemical Name: 2-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-nitrophenol
Smiles: CCOc1c(O)ccc(c1[N+](=O)[O-])C1Nc2ccccc2c2c(O1)nc(SC)nn2

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Molecular Weight: 427.44
Empirical Formula: C19H17N5O5S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 2.767
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 160
Number of rings: 4

     

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