COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887195
Chemical Name: methyl5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCCCCCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccccc1C

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Molecular Weight: 386.52
Empirical Formula: C21H26N2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.174
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 2

     

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