COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491333
Chemical Name: 3-[(4-methoxyphenyl)carbonyl]-4-{[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl}-1-benzofuran-5-olate
Smiles: COc1ccc(cc1)C(=O)c1coc2c1c(C[NH+]1CCN(CC1)C(=O)c1ccccc1)c(cc2)[O-]

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Molecular Weight: 470.52
Empirical Formula: C28H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.617
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 5

     

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