COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040347
Chemical Name: N-(4-bromophenyl)-2-{[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)N=C(CC1c1cccc(c1)[N+](=O)[O-])O

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Molecular Weight: 487.33
Empirical Formula: C20H15BrN4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.584
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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