COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043792
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: COc1ccc(cc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-])OC

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Molecular Weight: 546.62
Empirical Formula: C30H34N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.272
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 5

     

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