COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049114
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 456.61
Empirical Formula: C25H32N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.399
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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