COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151135
Chemical Name: (E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 440.5
Empirical Formula: C27H24N2O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.578
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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