COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147740
Chemical Name: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1cccs1

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Molecular Weight: 398.48
Empirical Formula: C21H22N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.588
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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