COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150219
Chemical Name: (E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 517.54
Empirical Formula: C27H27N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.997
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 137
Number of rings: 5

     

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