COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043586
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccncc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 452.47
Empirical Formula: C23H24N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.272
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 4

     

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