COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK746641
Chemical Name: (8S,8aR)-6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccccc1C(F)(F)F)(C#N)C#N

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Molecular Weight: 459.47
Empirical Formula: C26H20F3N5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.389
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 4

     

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