COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561384
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: CCc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[O-]

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Molecular Weight: 422.52
Empirical Formula: C25H30N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.7
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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