COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037028
Chemical Name: benzyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,3,4-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1OC)OC)OC)(C#N)C#N

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Molecular Weight: 525.56
Empirical Formula: C29H27N5O5

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 3.369
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 154
Number of rings: 4

     

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