COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080123
Chemical Name: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccs1)(C#N)C#N

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Molecular Weight: 441.51
Empirical Formula: C24H19N5O2S

Physical State: Dry powder
Available Amount: 431 mg

Lipinsky:
logP: 3.608
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 155
Number of rings: 4

     

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