COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958052
Chemical Name: 6-amino-2-ethyl-8-(2-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,5,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)c1ccccc1OC

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Molecular Weight: 359.43
Empirical Formula: C21H21N5O

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.347
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 109
Number of rings: 3

     

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