COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049880
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: C[NH+](CCN1C(c2ccco2)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 460.53
Empirical Formula: C27H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.525
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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