COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046172
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 490.52
Empirical Formula: C26H26N4O6

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.894
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 4

     

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