COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043662
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Smiles: COC(=O)c1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-]

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Molecular Weight: 502.57
Empirical Formula: C28H30N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.763
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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