COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK645872
Chemical Name: 2-(hexylsulfanyl)-6-hydroxy-4-(4-hydroxyphenyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCCCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)O

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Molecular Weight: 330.45
Empirical Formula: C18H22N2O2S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 4.094
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 101
Number of rings: 2

     

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