COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044957
Chemical Name: 6-hydroxy-2-(methylsulfanyl)-4-(2-nitrophenyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SC)N=C(CC1c1ccccc1[N+](=O)[O-])O

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Molecular Weight: 289.31
Empirical Formula: C13H11N3O3S

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 1.904
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 2

     

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