COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562182
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 418.45
Empirical Formula: C23H22N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.639
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 4

     

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