COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048125
Chemical Name: (E)-(4-butoxyphenyl)[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 488.54
Empirical Formula: C28H28N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.905
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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