COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045876
Chemical Name: (E)-[4,5-dioxo-2-(3-phenoxyphenyl)-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)c1cccc[nH+]1)/c1ccccc1

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Molecular Weight: 448.48
Empirical Formula: C28H20N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.308
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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