COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046212
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1cccc(c1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[O-]

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Molecular Weight: 514.62
Empirical Formula: C31H34N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.404
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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