COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056817
Chemical Name: (E)-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: COc1ccccc1C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-]

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Molecular Weight: 472.54
Empirical Formula: C28H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.668
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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