COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562669
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccnc1

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.357
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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