COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK471140
Chemical Name: 3-({4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}carbonyl)bicyclo[2.2.2]octane-2-carboxylicacid
Smiles: OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C)CC2

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Molecular Weight: 434.56
Empirical Formula: C22H30N2O5S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.166
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 5

     

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