COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545106
Chemical Name: ethyl(8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1F)F)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 409.4
Empirical Formula: C21H17F2N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.761
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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