COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147800
Chemical Name: (E)-(3-methoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cccc(c1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 481.51
Empirical Formula: C25H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.739
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 129
Number of rings: 4

     

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