COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK757374
Chemical Name: 6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccc(cc1)SC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 375.5
Empirical Formula: C21H21N5S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.37
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 125
Number of rings: 3

     

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