COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045108
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 475.5
Empirical Formula: C26H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.109
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 115
Number of rings: 4

     

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