COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK634862
Chemical Name: 4-[3-(benzyloxy)-4-methoxyphenyl]-2-(ethylsulfanyl)-6-hydroxy-4,5-dihydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=N1)O)c1ccc(c(c1)OCc1ccccc1)OC

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Molecular Weight: 394.49
Empirical Formula: C22H22N2O3S

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 4.097
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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