COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826234
Chemical Name: 2-(hexylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)OC)O

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Molecular Weight: 412.55
Empirical Formula: C23H28N2O3S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.527
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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