COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525045
Chemical Name: 6-amino-2-benzyl-8-(5-methylfuran-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)Cc1ccccc1)c1ccc(o1)C)(C#N)C#N

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Molecular Weight: 395.46
Empirical Formula: C24H21N5O

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.438
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 113
Number of rings: 4

     

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