COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700388
Chemical Name: tert-butyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(pyridin-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1cccnc1)(C#N)C#N

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Molecular Weight: 402.46
Empirical Formula: C22H22N6O2

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.824
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 139
Number of rings: 3

     

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