COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148458
Chemical Name: (E)-1-benzofuran-2-yl[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: O=C1C(=O)/C(=C(\c2cc3c(o2)cccc3)/[O-])/C(N1Cc1ccc[nH+]c1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 455.43
Empirical Formula: C25H17N3O6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.579
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 133
Number of rings: 5

     

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