COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042371
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCN1C(c2ccccc2)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)C

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Molecular Weight: 408.45
Empirical Formula: C23H24N2O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.059
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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