COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559726
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: COc1cccc(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]

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Molecular Weight: 460.53
Empirical Formula: C26H28N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.576
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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