COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050599
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: C[NH+](CCN1C(c2ccc(o2)C)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 410.47
Empirical Formula: C23H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.368
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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