COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332559
Chemical Name: tert-butyl6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(c(c1)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC

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Molecular Weight: 461.52
Empirical Formula: C25H27N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.197
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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