COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564460
Chemical Name: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 451.48
Empirical Formula: C24H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.764
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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