COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045460
Chemical Name: (E)-(1-[2-(dimethylammonio)ethyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(thiophen-2-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)OCCOc1ccccc1C)C

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Molecular Weight: 506.62
Empirical Formula: C28H30N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.17
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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