COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055648
Chemical Name: (E)-[2-(4-ethylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CCc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[O-]

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Molecular Weight: 456.54
Empirical Formula: C28H28N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.212
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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