COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062785
Chemical Name: (8R,8aR)-2-acetyl-6-amino-8-(2-fluoro-5-methoxyphenyl)-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)c1cc(OC)ccc1F)(C#N)C#N

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Molecular Weight: 391.4
Empirical Formula: C21H18FN5O2

Physical State: Dry powder
Available Amount: 425 mg

Lipinsky:
logP: 2.03
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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