COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055779
Chemical Name: (8R,8aR)-2-acetyl-6-amino-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)C(=O)C)c1ccoc1)(C#N)C#N

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Molecular Weight: 333.35
Empirical Formula: C18H15N5O2

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 1.15
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 130
Number of rings: 3

     

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