COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037502
Chemical Name: (E)-{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-]

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Molecular Weight: 442.54
Empirical Formula: C23H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.765
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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