COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539807
Chemical Name: ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Smiles: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)SC)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 419.51
Empirical Formula: C22H21N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.106
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 152
Number of rings: 3

     

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