COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047341
Chemical Name: (E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 446.46
Empirical Formula: C25H22N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.311
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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