COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561638
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 468.55
Empirical Formula: C26H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.048
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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