COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053784
Chemical Name: tert-butyl(8S,8aR)-6-amino-8-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N

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Molecular Weight: 504.55
Empirical Formula: C26H28N6O5

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 1.679
Rotatable bonds: 5
H-donors: 4
H-acceptors: 5
PSA: 188
Number of rings: 3

     

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