COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827096
Chemical Name: 4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)OCc1ccccc1

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Molecular Weight: 402.52
Empirical Formula: C24H22N2O2S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 3.472
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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