COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541857
Chemical Name: tert-butyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C

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Molecular Weight: 489.57
Empirical Formula: C27H31N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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