COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052986
Chemical Name: methyl4-{(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccs2)/O)/C1c1ccc(cc1)C(=O)OC

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Molecular Weight: 431.47
Empirical Formula: C21H21NO7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.236
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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