COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL281581
Chemical Name: 1-{(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-4-[(2-hydroxyethyl)carbamoyl]pyridiniumbromide
Smiles: OCCNC(=O)c1cc[n+](cc1)C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c1ccc2c(c1)OCCO2.[Br-]

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Molecular Weight: 603.39
Empirical Formula: C24H23BrN6O8

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 187
Number of rings: 4

     

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