COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK625144
Chemical Name: (4E)-4-({[4-chloro-3-(trifluoromethyl)phenyl]amino}methylidene)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccc(c(c1)C(F)(F)F)Cl)C1CCS(=O)(=O)C1

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Molecular Weight: 421.83
Empirical Formula: C16H15ClF3N3O3S

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 1.83
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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