COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564167
Chemical Name: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+]1CCOCC1)/c1cccs1

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Molecular Weight: 443.48
Empirical Formula: C21H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.455
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 148
Number of rings: 4

     

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