COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541122
Chemical Name: (8S,8aR)-6-amino-2-methyl-8-[4-(propan-2-yloxy)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OC(C)C)(C#N)C#N

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Molecular Weight: 373.46
Empirical Formula: C22H23N5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.147
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 3

     

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