COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065546
Chemical Name: (8aR)-2-acetyl-6-amino-8-(3,4-difluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C(=O)C)c1ccc(c(c1)F)F)(C#N)C#N

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Molecular Weight: 379.37
Empirical Formula: C20H15F2N5O

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 2.002
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 117
Number of rings: 3

     

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