COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560731
Chemical Name: (E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccccc1

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Molecular Weight: 486.57
Empirical Formula: C28H30N4O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.391
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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