COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561174
Chemical Name: methyl4-[(3E)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxo-1-(tetrahydrofuran-2-ylmethyl)pyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1CC1CCCO1

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Molecular Weight: 427.48
Empirical Formula: C22H21NO6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.948
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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