COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097459
Chemical Name: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1)OC

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Molecular Weight: 495.54
Empirical Formula: C28H25N5O4

Physical State: Dry powder
Available Amount: 486 mg

Lipinsky:
logP: 3.811
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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