COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548456
Chemical Name: (4R,4aR)-2-amino-4-(2,5-dimethoxyphenyl)-6-methyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC(C2)C)c1cc(OC)ccc1OC)(C#N)C#N

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Molecular Weight: 374.44
Empirical Formula: C22H22N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.808
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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