COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043562
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-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)C(C)(C)C)CC[NH+](C)C)/[O-]

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Molecular Weight: 462.59
Empirical Formula: C28H34N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.742
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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