COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699978
Chemical Name: (4R,4aR)-2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCCC2)c1cccc(c1OC)OC)(C#N)C#N

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Molecular Weight: 360.42
Empirical Formula: C21H20N4O2

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.172
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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