COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998977
Chemical Name: (8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCOc1cc(ccc1OCC)[C@@H]1[C@H]2CNCC=C2C(=C(C1(C#N)C#N)N)C#N

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Molecular Weight: 389.46
Empirical Formula: C22H23N5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.293
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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