COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK747213
Chemical Name: (8R,8aS)-6-amino-2-benzyl-8-(4-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-])(C#N)C#N

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Molecular Weight: 436.47
Empirical Formula: C25H20N6O2

Available Amount: 0 mg

Lipinsky:
logP: 3.547
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 146
Number of rings: 4

     

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