COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526793
Chemical Name: 2-{4-[(8S,8aR)-6-amino-2-benzyl-5,7,7-tricyano-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]phenoxy}acetamide
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccc(cc1)OCC(=O)N)(C#N)C#N

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Molecular Weight: 464.53
Empirical Formula: C27H24N6O2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.358
Rotatable bonds: 3
H-donors: 4
H-acceptors: 2
PSA: 152
Number of rings: 4

     

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