COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838431
Chemical Name: 2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 445.34
Empirical Formula: C20H17BrN2O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.466
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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