COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525575
Chemical Name: (8S,8aS)-6-amino-8-(2,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCNC2)c1ccc(cc1F)F)(C#N)C#N

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Molecular Weight: 337.33
Empirical Formula: C18H13F2N5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.634
Rotatable bonds: 0
H-donors: 3
H-acceptors: 0
PSA: 109
Number of rings: 3

     

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