COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564127
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/[O-])/C1c1ccc(c(c1)OC)O)CC

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Molecular Weight: 468.55
Empirical Formula: C26H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.74
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 103
Number of rings: 3

     

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