COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589861
Chemical Name: (E)-{2-[3-(benzyloxy)phenyl]-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccc(c1)OCc1ccccc1)C

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Molecular Weight: 514.58
Empirical Formula: C30H30N2O6

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.63
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 5

     

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