COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL226048
Chemical Name: [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1cccc(c1)C)c1nc2ccccc2nc1N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 497.62
Empirical Formula: C28H27N5O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.716
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 5

     

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