COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572042
Chemical Name: (5E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Molecular Weight: 467.46
Empirical Formula: C22H17N3O7S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 1.925
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 162
Number of rings: 4

     

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