COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528484
Chemical Name: 2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]-2-phenylacetamide
Smiles: CCC1C(=C(SC(c2ccccc2)C(=O)N)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 395.53
Empirical Formula: C22H25N3O2S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.092
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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