COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040287
Chemical Name: (E)-{2-(4-tert-butylphenyl)-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)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 528.65
Empirical Formula: C31H36N4O4

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.955
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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