COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563209
Chemical Name: 4-(1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

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Molecular Weight: 416.5
Empirical Formula: C24H20N2O3S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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