COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150595
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 389.39
Empirical Formula: C22H16FN3O3

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 1.914
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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