COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491200
Chemical Name: 3-[(4-fluorophenyl)carbonyl]-4-{[4-(propan-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl}-1-benzofuran-5-olate
Smiles: Fc1ccc(cc1)C(=O)c1coc2c1c(C[NH+]1CCN(CC1)S(=O)(=O)C(C)C)c(cc2)[O-]

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Molecular Weight: 460.53
Empirical Formula: C23H25FN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.033
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 4

     

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