COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040450
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CC[NH+](C)C)/[O-]

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Molecular Weight: 422.48
Empirical Formula: C24H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.318
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 3

     

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