COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK520809
Chemical Name: 1-[3-(ethylsulfanyl)-6-(6-nitro-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Smiles: CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 467.46
Empirical Formula: C21H17N5O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.09
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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