COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628971
Chemical Name: N-benzyl-2-{4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl}-2-oxoacetamide
Smiles: N#Cc1c(nc(c2c1CCCC2)C(C)C)N1CCN(CC1)C(=O)C(=O)NCc1ccccc1

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Molecular Weight: 445.56
Empirical Formula: C26H31N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.297
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 89
Number of rings: 4

     

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