COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544799
Chemical Name: (8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-(propan-2-yl)-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(C)C

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Molecular Weight: 445.56
Empirical Formula: C26H31N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.562
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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