COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148068
Chemical Name: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cccs2)\O)/C(=O)C1=O

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Molecular Weight: 493.52
Empirical Formula: C23H15N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.09
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 182
Number of rings: 5

     

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