COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542486
Chemical Name: (8R,8aR)-6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1)OC

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Molecular Weight: 451.53
Empirical Formula: C27H25N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.698
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 4

     

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