COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564117
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 400.5
Empirical Formula: C21H24N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.158
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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