COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565950
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 473.53
Empirical Formula: C27H27N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.822
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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