COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170524
Chemical Name: methyl6-amino-8-(4-tert-butoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COC(=O)N1CC=C2C(C1)C(c1ccc(cc1)OC(C)(C)C)C(=C(C2(C#N)C#N)N)C#N

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Molecular Weight: 431.49
Empirical Formula: C24H25N5O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.779
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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