COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK748644
Chemical Name: (8R,8aS)-6-amino-8-(4-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1ccc(cc1)F)(C#N)C#N

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Molecular Weight: 361.42
Empirical Formula: C21H20FN5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.283
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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