COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047021
Chemical Name: methyl2-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 483.46
Empirical Formula: C22H17N3O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.227
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 184
Number of rings: 4

     

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