COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150670
Chemical Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(4-chlorobenzyl)sulfanyl]-6-hydroxy-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)N=C(CC1c1cc(Br)c(c(c1)OC)O)O

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Molecular Weight: 479.78
Empirical Formula: C20H16BrClN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.771
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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