COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK748642
Chemical Name: 2-acetyl-6-amino-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C(=O)C)c1ccccc1C(F)(F)F)(C#N)C#N

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Molecular Weight: 411.39
Empirical Formula: C21H16F3N5O

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.56
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 117
Number of rings: 3

     

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