COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150490
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 447.49
Empirical Formula: C25H25N3O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.046
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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