COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514865
Chemical Name: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(cc2)F)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

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Saltdata: 2/3CH3COOH
Molecular Weight: 440.45
Empirical Formula: C22H17FN2O5S

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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