COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024808
Chemical Name: benzyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(7-methoxy-1,3-benzodioxol-5-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c2c(c1)OCO2)(C#N)C#N

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Molecular Weight: 509.52
Empirical Formula: C28H23N5O5

Available Amount: 0 mg

Lipinsky:
logP: 3.958
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 154
Number of rings: 5

     

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