COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322105
Chemical Name: 1-{(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-4-[(2-hydroxyethyl)carbamoyl]pyridinium
Smiles: OCCNC(=O)c1cc[n+](cc1)C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/c1ccc2c(c1)OCCO2

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Saltdata: Br-
Molecular Weight: 523.48
Empirical Formula: C24H23N6O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -1.338
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 187
Number of rings: 4

     

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