COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567947
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 466.53
Empirical Formula: C26H30N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.037
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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