COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542347
Chemical Name: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOc1cc(ccc1OC(C)C)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC

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Molecular Weight: 475.55
Empirical Formula: C26H29N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.767
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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