COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038832
Chemical Name: methyl2-[(3E)-3-[hydroxy(thiophen-2-yl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cccs2)\O)/C(=O)C1=O

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Molecular Weight: 485.5
Empirical Formula: C21H15N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.961
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 199
Number of rings: 4

     

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