COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK763806
Chemical Name: 4-[3-(benzyloxy)-4-methoxyphenyl]-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: C=CCSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OCc1ccccc1)OC

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Molecular Weight: 406.51
Empirical Formula: C23H22N2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.79
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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