COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526311
Chemical Name: (8S,8aS)-6-amino-8-(5-bromothiophen-2-yl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C)c1ccc(s1)Br)(C#N)C#N

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Molecular Weight: 400.3
Empirical Formula: C17H14BrN5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.882
Rotatable bonds: 0
H-donors: 2
H-acceptors: 0
PSA: 128
Number of rings: 3

     

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