COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030637
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1

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Molecular Weight: 465.51
Empirical Formula: C27H23N5O3

Physical State: Dry powder
Available Amount: 490 mg

Lipinsky:
logP: 3.845
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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