COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074026
Chemical Name: 6'-amino-2'-benzyl-2-oxo-1,1',2,2',3',4',4a',8a'-octahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
Smiles: N#CC1=C(N)C(C2(C3C1CCN(C3)Cc1ccccc1)C(=O)Nc1c2cccc1)(C#N)C#N

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Molecular Weight: 434.5
Empirical Formula: C26H22N6O

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.234
Rotatable bonds: 1
H-donors: 3
H-acceptors: 1
PSA: 129
Number of rings: 5

     

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