COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547959
Chemical Name: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOc1cc(ccc1OCCN1CCOCC1)[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: 546.63
Empirical Formula: C29H34N6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.241
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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