COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564494
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CC[NH+](CCN1C(c2cccnc2)/C(=C(/c2cccs2)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 385.49
Empirical Formula: C20H23N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.689
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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