COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053672
Chemical Name: (8aR)-6-amino-8-(3,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)F)F)(C#N)C#N

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Molecular Weight: 351.36
Empirical Formula: C19H15F2N5

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 2.366
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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