COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465100
Chemical Name: 3-{[4-(methylsulfonyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylicacid
Smiles: OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)S(=O)(=O)C)O2

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Molecular Weight: 330.36
Empirical Formula: C13H18N2O6S

Physical State: Dry powder
Available Amount: 731 mg

Lipinsky:
logP: -0.967
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 112
Number of rings: 3

     

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