COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL226019
Chemical Name: heptyl{3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Smiles: CCCCCCCOC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)c1cccc(c1)Cl)C#N

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Molecular Weight: 506.05
Empirical Formula: C28H32ClN5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.603
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 4

     

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