COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047790
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 446.46
Empirical Formula: C24H22N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.346
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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