COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042232
Chemical Name: (E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 550.61
Empirical Formula: C33H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.957
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 5

     

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