COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544882
Chemical Name: (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C

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Molecular Weight: 445.52
Empirical Formula: C25H27N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.319
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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