COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148936
Chemical Name: ethyl2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

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Molecular Weight: 507.52
Empirical Formula: C25H21N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.137
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 170
Number of rings: 4

     

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