COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561277
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: COc1ccc(c(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-])OC

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Molecular Weight: 490.56
Empirical Formula: C27H30N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.541
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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