COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056916
Chemical Name: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cccs2)\O)/C(=O)C1=O

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Molecular Weight: 418.43
Empirical Formula: C19H18N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.988
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 161
Number of rings: 3

     

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