COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK979956
Chemical Name: 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxy-3-nitrophenol
Smiles: CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1[N+](=O)[O-])OCC)O

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Molecular Weight: 469.52
Empirical Formula: C22H23N5O5S

Available Amount: 0 mg

Lipinsky:
logP: 4.361
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 160
Number of rings: 4

     

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