COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046322
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C\1/C(c2cccc(c2)OC)N(C(=O)C1=O)CC[NH+](C)C)/[O-]

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Molecular Weight: 410.47
Empirical Formula: C23H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.164
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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