COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046556
Chemical Name: 2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C)N=C(CC1c1cc(Br)c(c(c1)OC)O)O

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Molecular Weight: 502.39
Empirical Formula: C22H20BrN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.184
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 140
Number of rings: 3

     

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