COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564038
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 504.54
Empirical Formula: C28H28N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.313
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 111
Number of rings: 4

     

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