COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK761390
Chemical Name: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccs1)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 379.44
Empirical Formula: C19H17N5O2S

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 2.298
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 155
Number of rings: 3

     

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