COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544848
Chemical Name: (8R,8aR)-6-amino-2-benzyl-8-(furan-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccoc1)(C#N)C#N

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Molecular Weight: 381.44
Empirical Formula: C23H19N5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.978
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 113
Number of rings: 4

     

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