COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563041
Chemical Name: (E)-1-benzofuran-2-yl{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

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Molecular Weight: 460.57
Empirical Formula: C28H32N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.568
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 78
Number of rings: 4

     

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