COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559023
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 431.49
Empirical Formula: C25H25N3O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.591
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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