COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK617780
Chemical Name: ethyl{4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl}(oxo)acetate
Smiles: CCOC(=O)C(=O)N1CCN(CC1)c1nc(C(C)C)c2c(c1C#N)CCCC2

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Molecular Weight: 384.48
Empirical Formula: C21H28N4O3

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 2.683
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 3

     

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