COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673084
Chemical Name: (8R,8aS)-6-amino-7,7-dicyano-8-[4-(methylsulfanyl)phenyl]-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylicacid
Smiles: N#CC1(C#N)[C@@H](c2ccc(cc2)SC)[C@@H]2CN(CC=C2C(=C1N)C(=O)O)C(C)C

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Molecular Weight: 408.52
Empirical Formula: C22H24N4O2S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.808
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 139
Number of rings: 3

     

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