COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958037
Chemical Name: ethyl6-amino-5,5,7-tricyano-8-(pyridin-4-yl)-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2C(C1)C(c1ccncc1)C(=C(C2(C#N)C#N)N)C#N

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Molecular Weight: 374.4
Empirical Formula: C20H18N6O2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.675
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 139
Number of rings: 3

     

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