COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566136
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: C[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)C1=O)C

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Molecular Weight: 489.53
Empirical Formula: C26H27N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.515
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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