COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546429
Chemical Name: (4S,4aS)-2-amino-6-tert-butyl-4-[2-(propan-2-yloxy)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCC(C2)C(C)(C)C)c1ccccc1OC(C)C)(C#N)C#N

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Molecular Weight: 414.55
Empirical Formula: C26H30N4O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.95
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 106
Number of rings: 3

     

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