COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527310
Chemical Name: 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetamide
Smiles: CCC1C(=C(SCC(=O)N)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 319.43
Empirical Formula: C16H21N3O2S

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 1.059
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 121
Number of rings: 2

     

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