COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036871
Chemical Name: (E)-(4-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 451.48
Empirical Formula: C24H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.1
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 4

     

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