COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055623
Chemical Name: (E)-{4-[(3-methylbenzyl)oxy]phenyl}[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

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Molecular Weight: 504.59
Empirical Formula: C32H28N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.918
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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