COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826722
Chemical Name: 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

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Molecular Weight: 527.52
Empirical Formula: C26H20F3N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.118
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 5

     

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