COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037785
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)C

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Molecular Weight: 414.48
Empirical Formula: C21H22N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.737
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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