COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK794376
Chemical Name: (2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}hydrazinecarbothioamide
Smiles: S=C(NC1CCS(=O)(=O)C1)N/N=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 484.56
Empirical Formula: C21H20N6O4S2

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 2.379
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 174
Number of rings: 4

     

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