COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK521892
Chemical Name: 2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-nitrophenylacetate
Smiles: CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(ccc1OC(=O)C)[N+](=O)[O-]

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Molecular Weight: 495.52
Empirical Formula: C23H21N5O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.892
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 165
Number of rings: 4

     

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