COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560624
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 456.61
Empirical Formula: C25H32N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.284
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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