COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029659
Chemical Name: tert-butyl(8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-5,7,7-tricyano-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)c1cc(Br)ccc1F)(C#N)C#N

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Molecular Weight: 498.35
Empirical Formula: C23H21BrFN5O2

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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