COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563187
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl]{2-(3-ethoxy-4-hydroxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1cc(ccc1O)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[O-]

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Molecular Weight: 572.66
Empirical Formula: C33H36N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.47
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 5

     

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