COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667991
Chemical Name: 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]phenylacetate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OC(=O)C)(C#N)C#N

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Molecular Weight: 373.41
Empirical Formula: C21H19N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.69
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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