COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047190
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 516.64
Empirical Formula: C30H36N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.314
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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