COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561696
Chemical Name: (E)-{2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccccc1F

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Molecular Weight: 490.53
Empirical Formula: C27H27FN4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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