COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024772
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-nitrophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)[N+](=O)[O-])(C#N)C#N

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Molecular Weight: 480.48
Empirical Formula: C26H20N6O4

Physical State: Dry powder
Available Amount: 521 mg

Lipinsky:
logP: 3.66
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 172
Number of rings: 4

     

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