COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559754
Chemical Name: (E)-[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 474.51
Empirical Formula: C27H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.302
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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