COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566485
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CC[NH+](C)C)/[O-]

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Molecular Weight: 454.52
Empirical Formula: C25H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.589
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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