COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560882
Chemical Name: (E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1cccc[nH+]1)/[O-]

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Molecular Weight: 457.44
Empirical Formula: C25H19N3O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.797
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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