COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148756
Chemical Name: N-(3-chloro-2-methylphenyl)-2-{[3-cyano-6-hydroxy-4-(2-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)N=C(CC1c1ccccc1[N+](=O)[O-])O

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Molecular Weight: 456.91
Empirical Formula: C21H17ClN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.56
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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