COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330342
Chemical Name: 2-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-butyl-2-cyanoacetamide
Smiles: CCCCNC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N

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Molecular Weight: 486.57
Empirical Formula: C27H30N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.57
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 5

     

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