COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833350
Chemical Name: (8R,8aR)-6-amino-2-ethyl-8-(5-methylthiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2[C@H](C1)[C@@H](c1ccc(s1)C)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 349.46
Empirical Formula: C19H19N5S

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.022
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 128
Number of rings: 3

     

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