COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539425
Chemical Name: (8S)-6-amino-2-ethyl-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)[C@@H](c1ccc(c(c1)OC)OC(C)C)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 417.51
Empirical Formula: C24H27N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.5
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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