COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151098
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 488.5
Empirical Formula: C26H24N4O6

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.329
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 5

     

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