COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548376
Chemical Name: {3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
Smiles: N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 541.63
Empirical Formula: C29H27N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.578
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 117
Number of rings: 6

     

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