COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL535141
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 478.5
Empirical Formula: C26H26N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.548
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 113
Number of rings: 4

     

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