COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569834
Chemical Name: (E)-(4-bromophenyl)[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-2-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 450.29
Empirical Formula: C22H16BrN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.796
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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