COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525295
Chemical Name: (8S,8aS)-6-amino-2-benzyl-8-(3-methylthiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)Cc1ccccc1)c1sccc1C)(C#N)C#N

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Molecular Weight: 411.53
Empirical Formula: C24H21N5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.955
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 128
Number of rings: 4

     

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