COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325346
Chemical Name: 2-[4-(6-amino-5,7,7-tricyano-2-propyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl)phenoxy]acetamide
Smiles: CCCN1CC=C2C(C1)C(c1ccc(cc1)OCC(=O)N)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 416.48
Empirical Formula: C23H24N6O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.956
Rotatable bonds: 4
H-donors: 4
H-acceptors: 2
PSA: 152
Number of rings: 3

     

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