COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525071
Chemical Name: (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CN(CC2)C(C)C)c1cccnc1)(C#N)C#N

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Molecular Weight: 344.42
Empirical Formula: C20H20N6

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 1.215
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 113
Number of rings: 3

     

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