COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544437
Chemical Name: 2-amino-4-[3-methoxy-4-(pentyloxy)phenyl]-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: CCCCCOc1ccc(cc1OC)C1C2CCCC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 416.52
Empirical Formula: C25H28N4O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.298
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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