COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052105
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: C[NH+](CCN1C(c2cccc(c2)O)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 422.48
Empirical Formula: C24H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.011
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 4

     

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