COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368065
Chemical Name: 2-chloro-5-({(2Z,5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoicacid
Smiles: O=C1N/C(=N/c2ccc(c(c2)C(=O)O)Cl)/S/C/1=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 447.81
Empirical Formula: C18H10ClN3O7S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 2.607
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 168
Number of rings: 4

     

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