COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048898
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-]

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Molecular Weight: 496.6
Empirical Formula: C28H36N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.283
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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