COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754130
Chemical Name: 6-amino-8-(5-bromo-2-fluorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C(C)C)c1cc(Br)ccc1F)(C#N)C#N

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Molecular Weight: 440.32
Empirical Formula: C21H19BrFN5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.989
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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