COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563062
Chemical Name: (E)-{4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 456.5
Empirical Formula: C27H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.063
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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