COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885725
Chemical Name: 2-(ethylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 303.34
Empirical Formula: C14H13N3O3S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 2.725
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 2

     

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