COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000225
Chemical Name: (8aR)-6-amino-2-benzyl-8-(3,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccc(c(c1)F)F)(C#N)C#N

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Molecular Weight: 427.46
Empirical Formula: C25H19F2N5

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 3.83
Rotatable bonds: 2
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 4

     

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