COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202643
Chemical Name: (2E,5E)-2-(1,3-benzodioxol-5-ylimino)-5-[4-(4-methylpiperidin-1-yl)-3-nitrobenzylidene]-1,3-thiazolidin-4-one
Smiles: CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C\1/S/C(=N/c2ccc3c(c2)OCO3)/NC1=O

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Molecular Weight: 466.52
Empirical Formula: C23H22N4O5S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 4.564
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 5

     

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