COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885621
Chemical Name: 2-(hexylsulfanyl)-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C

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Molecular Weight: 380.55
Empirical Formula: C23H28N2OS

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.018
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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