COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562782
Chemical Name: (1E,2E)-1-[4,5-dioxo-1-(pyridinium-2-yl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene]-3-phenylprop-2-en-1-olate
Smiles: [O-]/C(=C/1\C(c2cccnc2)N(C(=O)C1=O)c1cccc[nH+]1)/C=C/c1ccccc1

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Molecular Weight: 383.41
Empirical Formula: C23H17N3O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.633
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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