COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039467
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[O-]

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Molecular Weight: 516.59
Empirical Formula: C30H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.333
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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