COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043714
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 520.63
Empirical Formula: C30H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.945
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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