COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566627
Chemical Name: (E)-{2-(3-ethoxy-4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OCC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 552.67
Empirical Formula: C31H40N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.349
Rotatable bonds: 12
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 4

     

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