COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010155
Chemical Name: (4E)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-4-{[(4-methylphenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C

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Molecular Weight: 333.41
Empirical Formula: C16H19N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.192
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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