COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561028
Chemical Name: (E)-[4-(benzyloxy)-3-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[O-]

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Molecular Weight: 530.62
Empirical Formula: C31H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.457
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 4

     

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