COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057523
Chemical Name: (E)-(1-[2-(dimethylammonio)ethyl]-2-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OCc1ccc(cc1)C)CC[NH+](C)C)/[O-]

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Molecular Weight: 530.62
Empirical Formula: C31H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.131
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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