COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542056
Chemical Name: 4-(2,3-dichlorophenyl)-2-(hexylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)c1cccc(c1Cl)Cl)C#N

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Molecular Weight: 435.42
Empirical Formula: C22H24Cl2N2OS

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.623
Rotatable bonds: 7
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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