COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570532
Chemical Name: (E)-{2-(2,3-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)CC[NH+](C)C)/[O-]

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Molecular Weight: 440.5
Empirical Formula: C24H28N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.016
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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